466	486	952	0:SP3_SP3_SP3	C[6]	C[3,6]	S	4:4:4:1:	4:4:2:1:	4:4:1:1:	C[3,6]-4:C[6]-4:S-4:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:O-1:O-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H)	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]CC)(SCOO)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HS)(O[3]C[3,6])(H){1|C<3>,2|C<4>,2|H<1>}	S(C[6]C[3,6]C[6]H)(CCHH)(O)2	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1	107.7480	0.000	1
466	486	956	0:SP3_SP2_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:2:1:	4:3:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-3:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	N(C[6]C[3,6]C[6]H)(COO)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]HH)(NCH)(H){1|H<1>,1|O<2>,2|C<4>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){2|H<1>,3|C<4>}	N(C[6]C[3,6]C[6]H)(COO)(H)	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	110.5770	0.789	2	110.5770	0.789	2
466	486	956	0:SP3_SP2_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[3,6]C[6]H)(SO3)(H)	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	109.9490	0.000	1	110.5770	0.789	2	110.5770	0.789	2
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	3:4:3:1:	4:4:4:3:	4:3:1:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:C[3]-4:C-3:	C[6]-4:C[6a]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O)	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H){1|O<2>,3|C<3>,3|H<1>}	C[3,6](C[3,6]C[3]O[6]C)(C[6]C[6,6a]HN)(C[3]C[3,6]HH)(CC[6a]O){2|C<3>}	N(C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]2)(H)	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	110.0300	0.000	1	112.6444	7.281	7	112.6444	7.281	7
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	113.3210	0.000	1	113.3210	0.000	1	113.0100	0.193	2	113.0100	0.193	2	112.6444	7.281	7	112.6444	7.281	7
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:2:1:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCH)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)(H)	112.6990	0.000	1	112.6990	0.000	1	113.0100	0.193	2	113.0100	0.193	2	112.6444	7.281	7	112.6444	7.281	7
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HH)(NCC)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]HH)2	109.9120	0.000	1	109.9120	0.000	1	114.0100	12.948	3	114.0100	12.948	3	112.6444	7.281	7	112.6444	7.281	7
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:2:1:	4:4:4:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3,6]-4:C[6]-4:O[3]-2:H-1:	C[6]-4:C-4:C-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H)	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(NCC)(H){1|C<4>,3|H<1>}	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HN)(O[3]C[3,6])(H){1|C<4>,1|O<2>,3|H<1>}	N(C[6]C[3,6]C[6]H)(CC[6a]CH)(CC[6a]HH)	116.0590	0.840	2	116.0590	0.706	2	114.0100	12.948	3	114.0100	12.948	3	112.6444	7.281	7	112.6444	7.281	7
466	486	956	0:SP3_SP3_SP3	C[6]	C[3,6]	N	4:4:3:1:	4:4:4:4:	4:4:1:	C[3,6]-4:C[6]-4:N-3:H-1:	C[3]-4:C[3,6]-4:C[6]-4:C-4:	C[6]-4:S-4:H-1:	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H)	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH)	N(C[6]C[3,6]C[6]H)(SO3)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(NHS)(H){1|C<3>,1|C<4>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]H)(C[6]C[6]HN)(CCHH){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[3,6]C[6]H)(SO3)(H)	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	110.4310	0.000	1	112.6444	7.281	7	112.6444	7.281	7
466	486	983	0:SP3_SP1_SP3	C[6]	C[3,6]	C	4:3:2:1:	4:3:4:1:	4:1:	C[3,6]-4:N[6]-3:C-2:H-1:	C[3,6]-4:N[3]-3:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H)	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H)	C(C[6]C[3,6]N[6]H)(N)	C[6](C[3,6]C[3,6]N[3]H)(N[6]C[6,6a]C)(CN)(H){1|H<1>,1|S<4>,2|C<3>}	C[3,6](C[3,6]C[6,6a]N[3]H)(N[3]C[3,6]S)(C[6]N[6]CH)(H){3|C<3>}	C(C[6]C[3,6]N[6]H)(N)	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	107.3370	0.000	1	108.1714	0.803	5	108.1714	0.803	5
466	486	983	0:SP3_SP1_SP3	C[6]	C[3,6]	C	4:3:2:1:	4:4:4:1:	4:1:	C[3,6]-4:C[6]-3:C-2:H-1:	C[3,5,6]-4:C[3,6]-4:C[6]-4:H-1:	C[6]-4:N-1:	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H)	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H)	C(C[6]C[3,6]C[6]H)(N)	C[6](C[3,6]C[3,5,6]C[3,6]H)(C[6]C[6]H)(CN)(H){1|H<1>,2|C<4>,2|O<2>}	C[3,6](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]O[6]2)(C[6]C[6]CH)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[3,6]C[6]H)(N)	108.8685	1.156	2	108.8685	1.337	2	108.8685	1.337	2	108.8685	1.337	2	108.1714	0.803	5	108.1714	0.803	5
466	486	983	0:SP3_SP1_SP3	C[6]	C[3,6]	C	4:3:2:1:	4:4:4:2:	4:1:	C[3,6]-4:N[6,6]-3:C-2:H-1:	C[3,6]-4:C[6]-4:C[6]-4:O[3]-2:	C[6]-4:N-1:	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6])	C(C[6]C[3,6]N[6,6]H)(N)	C[6](C[3,6]C[3,6]C[6]O[3])(N[6,6]C[3x6]C[6])(CN)(H){1|N<3>,4|C<4>,5|H<1>}	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]N[6,6]C[6]H)(C[6]N[6,6]CH)(O[3]C[3,6]){3|H<1>,6|C<4>}	C(C[6]C[3,6]N[6,6]H)(N)	107.8915	0.223	2	107.8915	0.050	2	107.8915	0.050	2	107.8915	0.050	2	108.1714	0.803	5	108.1714	0.803	5
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-3:N[3x6]-3:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	C[6,6](C[5,6,6]C[5,3x6]N[5])(N[3x6]C[6,6]2)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	C(C[6,6]C[5,6,6]N[3x6]C)(H)3	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:O[6,6]-2:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2	C(C[6,6]C[3x6]O[6,6]C)(H)3	C(C[6,6]C[3x6]O[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(O[6,6]C[3x6])(CH3)2{3|C<4>,4|H<1>}	C(C[6,6]C[3x6]O[6,6]C)(H)3	C(C[6,6]C[3x6]O[6,6]C)(H)3	108.8035	0.139	2	108.8035	0.019	2	108.8035	0.019	2	108.8035	0.019	2	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-3:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	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(C[6,6]C[3x6]2C)(H)3	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(C[6,6]C[3x6]2C)(H)3	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	109.0640	0.000	1	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[6,6]2C)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	107.7390	0.021	2	107.7390	0.000	2	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[4x6]C[6]O)(C[3x6]C[6,6]2H)(CH3)2{4|C<4>,6|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	104.6910	0.000	1	104.6910	0.000	1	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{1|O<2>,2|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	107.8960	0.718	2	107.8477	0.265	3	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	107.7510	0.000	1	107.8477	0.265	3	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[3x6]C[6,6]2N)(CH3)2{2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	105.5990	0.000	1	105.5990	0.000	1	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]2H)2(CH3)2{2|O<1>,3|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	106.9660	0.484	2	106.9660	0.234	2	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	109.2720	0.000	1	109.4330	0.052	2	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6]H)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	109.5940	0.000	1	109.4330	0.052	2	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	C[6,6](C[3x6]C[6,6]O[6,6]O)(C[3x6]C[4x6]C[6]H)(CH3)2{4|C<4>,4|H<1>}	C(C[6,6]C[3x6]2C)(H)3	C(C[6,6]C[3x6]2C)(H)3	107.2480	0.000	1	107.2480	0.000	1	107.4464	1.897	12	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	106.9505	0.073	2	106.9505	0.005	2	107.5110	0.442	4	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5,6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[5,3x6]C[5]H)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	108.0715	0.254	2	108.0715	0.064	2	107.5110	0.442	4	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	108.6410	0.000	1	108.6410	0.000	1	108.3630	1.965	17	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(CH3)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	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]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.9305	0.097	2	109.9305	0.009	2	108.3630	1.965	17	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(CH3)2{1|C<4>,1|P<4>,5|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	106.5464	0.666	5	106.5464	0.444	5	108.3630	1.965	17	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	108.3390	0.000	1	108.3390	0.000	1	108.3630	1.965	17	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	C[6,6](C[3x6]C[6,6]N[6,6]H)(C[6,6]C[3x6]HH)(CH3)2{1|O<2>,2|C<3>,3|H<1>}	C(C[6,6]C[3x6]C[6,6]C)(H)3	C(C[6,6]C[3x6]C[6,6]C)(H)3	109.0747	0.766	8	109.0747	0.587	8	108.3630	1.965	17	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2C)(CH3)2{1|Cl<1>,1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	C(C[6,6]C[5,6,6]C[3x6]C)(H)3	105.6600	0.000	1	105.6600	0.000	1	105.6600	0.000	1	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[5a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	108.3370	0.000	1	108.3370	0.000	1	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2C)(C[6,6]C[6]2H)(CH3)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	107.5390	0.000	1	107.5390	0.000	1	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CH3)2{2|N<3>,4|O<1>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	108.8580	0.000	1	108.8580	0.000	1	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|C<4>,6|C<3>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	107.5950	0.000	1	108.0325	0.383	2	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6a]N[6]O[6])(C[6,6]C[6,6a]2H)(CH3)2{1|H<1>,6|C<3>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	108.4700	0.000	1	108.0325	0.383	2	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:H-1:H-1:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]N[6]2H)2(CH3)2	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]N[6]2H)2(CH3)2{2|C<3>,4|C<4>}	C(C[6,6]C[6,6]2C)(H)3	C(C[6,6]C[6,6]2C)(H)3	108.1394	0.350	9	108.1394	0.123	9	108.1467	0.177	14	107.9435	1.456	48	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:3:1:1:	4:2:2:1:	C[3x6]-4:C[3x6]-4:C-4:C-4:	C[6,6]-4:C[6a]-3:H-1:H-1:	C[6,6]-4:C-2:C-2:H-1:	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH)	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C(C[6,6]C[3x6]2C)(CN)2(H)	C[6,6](C[3x6]C[6,6]2H)2(CC[6a]HH)(CCCH){2|C<4>,8|H<1>}	C(C[6,6]C[3x6]2C)(C[6a]C[6a]2)(H)2	C(C[6,6]C[3x6]2C)(CN)2(H)	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	109.3960	0.000	1	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6,6]	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6,6]-4:C-4:C-4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6,6]-4:H-1:H-1:H-1:	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3)	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C(C[6,6]C[6,6]2C)(H)3	C[6,6](C[6,6]C[6]2H)2(CC[6a]HO)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[6,6]C[6,6]2C)(C[6a]C[6a]2)(OH)(H)	C(C[6,6]C[6,6]2C)(H)3	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	108.0275	1.378	54	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](N[6]C[6])2(CF3)2	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6])2(CF3)2{1|C<4>,1|F<1>,1|N<2>}	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(F)3	110.2790	0.000	1	110.2790	0.000	1	110.2790	0.000	1	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[3x6])(O[6]C[6,6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	110.8790	0.000	1	110.8790	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[3x6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.4365	0.443	2	113.4365	0.197	2	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[4x6])(O[6]C[6])(CH3)2{1|C<4>,1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.6230	0.000	1	113.6230	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,4x6])(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.2340	0.000	1	112.2340	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6,6])(O[6]C[4x6])(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.6835	0.388	2	111.6835	0.151	2	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6,6])(O[6]C[5,6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.6830	0.000	1	113.6830	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6,6])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	110.8260	0.000	1	110.8260	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.9020	0.000	1	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.7200	0.004	2	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.4465	0.428	2	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{1|N<3>,1|O<1>,2|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.2370	0.000	1	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.1888	0.555	31	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[5,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.1782	0.155	5	112.1956	0.302	42	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	114.7600	0.000	1	112.0902	1.369	37	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.0986	0.613	7	112.0902	1.369	37	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.9664	1.245	25	112.0902	1.369	37	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.1820	0.873	4	112.0902	1.369	37	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])2(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.0443	0.120	3	112.0443	0.014	3	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6a])(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.1750	0.000	1	112.1750	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.7349	0.457	13	113.3370	0.404	23	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6a])(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.8198	0.429	10	113.3370	0.404	23	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])(O[6]O[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])(O[6]O[6])(CH3)2{1|C<4>,2|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.3940	0.000	1	113.3940	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	114.2491	0.559	7	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.8407	0.487	15	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.3470	0.000	1	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<3>,2|O<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.6209	0.664	114	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<4>,2|O<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.6086	0.746	58	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.2182	0.529	27	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{2|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	112.0823	0.319	3	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.3970	1.019	5	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CH3)2{3|C<3>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.6490	0.693	2	113.2896	0.904	232	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]O[6])2(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]O[6])2(CH3)2{1|C<4>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	113.4340	0.000	1	113.4340	0.000	1	112.9975	1.086	349	112.9897	1.104	350	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	113.9382	0.662	16	114.0661	0.493	33	113.9573	0.686	35	113.9573	0.686	35	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6,6])(O[6]O[6])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	114.1864	0.737	17	114.0661	0.493	33	113.9573	0.686	35	113.9573	0.686	35	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CCHH)(CH3){1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CC[6]HH)(H)2	C(C[6]O[6]2C)(H)3	111.5580	0.000	1	111.5580	0.000	1	113.9573	0.686	35	113.9573	0.686	35	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6])2(CCHH)(CH3)	C(C[6]O[6]2C)(CC[6a]HH)(H)2	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6])2(CCHH)(CH3){1|C<3>,2|O<1>}	C(C[6]O[6]2C)(CC[6a]HH)(H)2	C(C[6]O[6]2C)(H)3	112.7660	0.000	1	112.7660	0.000	1	113.9573	0.686	35	113.9573	0.686	35	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	N[6]-2:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a])(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	113.2280	0.000	3	113.2280	0.000	3	113.2280	0.000	3	113.4904	0.167	17	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2	C(C[6]O[6]2C)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C[6](O[6]C[5,6,6])(O[6]C[6,6])(CCHH)2{2|H<1>,3|C<4>}	C(C[6]O[6]2C)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	114.2120	0.000	1	114.2120	0.000	1	114.0155	0.077	2	113.4904	0.167	17	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](O[6]C[6])2(CCHH)2	C(C[6]O[6]2C)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	C[6](O[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CCHH)(H)2	C(C[6]O[6]2C)(CCHH)(H)2	113.8190	0.000	1	113.8190	0.000	1	114.0155	0.077	2	113.4904	0.167	17	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	S[6]-2:S[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](S[6]C[6])2(CCHH)2	C(C[6]S[6]2C)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C[6](S[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]S[6]2C)(CCHH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	113.3249	0.413	8	113.3249	0.170	8	113.4685	0.166	12	113.4904	0.167	17	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:1:1:	S[6]-2:S[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](S[6]C[6])2(CCHH)2	C(C[6]S[6]2C)(CC[6]HH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	C[6](S[6]C[6])2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]S[6]2C)(CC[6]HH)(H)2	C(C[6]S[6]2C)(CCHH)(H)2	113.7558	0.219	4	113.7558	0.048	4	113.4685	0.166	12	113.4904	0.167	17	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:1:1:	4:4:4:4:	S[6]-2:S[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](S[6]C[6])2(CC[6]HH)(CC3)	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	C(C[6]S[6]2C)(CCHO)(CH3)2	C[6](S[6]C[6])2(CC[6]HH)(CC3){1|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6]S[6]2C)(H)2	C(C[6]S[6]2C)(CCHO)(CH3)2	115.4050	0.308	2	115.4050	0.095	2	115.4050	0.095	2	115.4050	0.095	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:2:1:	4:1:1:1:	S[6]-2:S[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6])2(CCHO)(CH3)	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(H)3	C[6](S[6]C[6])2(CCHO)(CH3){1|C<4>,4|H<1>}	C(C[6]S[6]2C)(CC[6]CH)(OSi)(H)	C(C[6]S[6]2C)(H)3	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:3:1:	4:4:1:1:	S[6]-2:S[6]-2:C-4:C-4:	C[5]-4:C[6]-4:N-3:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](S[6]C[6])2(CC[5]HN)(CCHH)	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	C[6](S[6]C[6])2(CC[5]HN)(CCHH){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2C)(NCH)(H)	C(C[6]S[6]2C)(CCHO)(H)2	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:4:1:	4:3:1:1:	S[6]-2:S[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](S[6]C[6])2(CCCH)(CCHH)	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CCH)(H)2	C[6](S[6]C[6])2(CCCH)(CCHH){1|C<4>,4|H<1>}	C(C[6]S[6]2C)(CC[6]HO)(CH3)(H)	C(C[6]S[6]2C)(CCH)(H)2	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[6]-2:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](O[6]C[6])2(CCCH)2	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C[6](O[6]C[6])2(CCCH)2{1|C<4>,4|H<1>}	C(C[6]O[6]2C)(CC[6a]HH)2(H)	C(C[6]O[6]2C)(CC[6a]HH)2(H)	115.5425	0.603	2	115.5425	0.364	2	115.5425	0.364	2	115.5425	0.364	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	3:4:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	108.8120	0.511	2	108.8120	0.261	2	108.8120	0.261	2	108.8453	0.134	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	3:4:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	108.9120	0.000	1	108.9120	0.000	1	108.9120	0.000	1	108.8453	0.134	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-2:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[5a,6])(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.3180	0.281	2	111.9887	0.365	3	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.3300	0.000	1	111.9887	0.365	3	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.0880	1.461	2	111.0880	2.134	2	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.3560	0.079	2	111.3560	0.006	2	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.5470	0.000	1	111.4438	0.306	75	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.4424	0.557	74	111.4438	0.306	75	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.0395	0.125	2	112.0395	0.016	2	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.4040	0.000	1	112.4040	0.000	1	111.4779	0.336	85	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	S[6]-2:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]S[6]C)(H)3	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(C[6]C[6]S[6]C)(H)3	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	111.4788	0.335	87	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.6480	0.000	1	110.6480	0.000	1	108.9767	2.859	3	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.0150	0.000	1	109.0150	0.000	1	108.9767	2.859	3	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	107.2670	0.000	1	107.2670	0.000	1	108.9767	2.859	3	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	108.7090	0.000	1	108.7090	0.000	1	108.9230	0.092	2	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.1370	0.000	1	109.1370	0.000	1	108.9230	0.092	2	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.8300	1.389	2	112.8300	1.929	2	112.8300	1.929	2	110.0623	4.865	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:3:1:1:	4:3:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-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(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	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(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:4:1:1:	4:1:1:1:	N[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	108.5170	0.000	1	108.5170	0.000	1	108.5170	0.000	1	110.5647	6.799	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:3:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.5885	2.703	2	111.5885	7.308	2	111.5885	7.308	2	110.5647	6.799	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]Ge[5,6])(C[6]P[6]HH)(CF3)2{1|N<2>,1|O<2>,1|P<3>,2|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	109.3680	0.000	1	109.3680	0.000	1	108.8808	0.341	5	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	108.7530	0.458	2	108.7590	0.355	4	108.8808	0.341	5	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](O[6]In[5,6,6])(C[6]C[6]HH)(CF3)2{1|O<2>,2|C<4>,2|N<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	108.7650	0.925	2	108.7590	0.355	4	108.8808	0.341	5	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[4,5,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.7213	0.432	3	110.7213	0.186	3	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[4,6,6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.2280	0.170	3	111.2280	0.029	3	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[5,5,3x6])(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.2700	0.000	1	110.2700	0.000	1	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.9235	0.260	2	110.8027	0.567	48	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.1660	0.379	21	110.8027	0.567	48	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.4340	0.000	1	110.8027	0.567	48	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.3073	0.343	7	110.8027	0.567	48	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.1538	0.584	17	110.8027	0.567	48	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HI)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.0750	0.000	1	112.0750	0.000	1	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.5630	0.000	1	111.1539	0.687	8	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.3690	0.000	1	111.1539	0.687	8	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.1620	0.000	1	111.1539	0.687	8	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.8274	0.872	5	111.1539	0.687	8	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HS)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	113.1190	0.000	1	113.1190	0.000	1	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]N[5a,6])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.5000	0.000	1	112.5000	0.000	1	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]Nb[4x6])(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|N<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.5630	0.000	1	111.5630	0.000	1	110.9423	0.650	67	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6]O[6]C)(H)2(I)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHI)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)2(I)	C(C[6]C[6]O[6]C)(H)3	113.6060	0.000	1	113.6060	0.000	1	113.6060	0.000	1	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	109.8825	0.205	6	109.8825	0.042	6	110.0633	0.264	7	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:1:1:1:	4:1:1:1:	S[6]-2:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a])(C[6]N[6]CH)(CH3)2{1|H<1>,2|C<3>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	111.1480	0.000	1	111.1480	0.000	1	110.0633	0.264	7	110.7699	0.977	80	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:2:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CHHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(OC[6a])(H)2	C(C[6]C[6]O[6]C)(H)3	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	112.8410	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:2:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:O-2:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3)	C(C[6]C[6]O[6]C)(OC)2(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CHOO)(CH3){1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]O[6]C)(OC)2(H)	C(C[6]C[6]O[6]C)(H)3	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	110.7030	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:3:1:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	111.9605	0.664	2	111.9605	0.441	2	111.9605	0.441	2	111.9605	0.441	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:3:1:1:	4:3:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS)	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	C(C[6]C[6]O[6]C)(CCH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CCHH)(CHHS){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(SC[6a]O)(H)2	C(C[6]C[6]O[6]C)(CCH)(H)2	112.4615	0.837	2	112.4615	0.700	2	112.4615	0.700	2	112.4615	0.700	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:3:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHO)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[5]O)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	110.8160	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	113.0897	2.369	3	110.6741	7.072	7	110.7231	5.522	9	110.7231	5.522	9	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	108.8625	0.438	4	110.6741	7.072	7	110.7231	5.522	9	110.7231	5.522	9	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]HO)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.9800	0.000	1	109.9800	0.000	1	110.7231	5.522	9	110.7231	5.522	9	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:1:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]O[6]CO)(CCHH)(CH3){2|C<3>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(H)3	111.8090	0.000	1	111.8090	0.000	1	110.7231	5.522	9	110.7231	5.522	9	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:1:1:	4:2:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[6]-4:N[5]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO)	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]HH)(CN[5]HH)(CHHO){2|C<3>,2|C<4>}	C(C[6]C[6]O[6]C)(N[5]C[5]2H)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	111.0257	1.053	3	111.0257	1.110	3	111.0257	1.110	3	111.0257	1.110	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	2:4:4:4:	4:4:2:1:	4:1:1:1:	O[6]-2:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]CH)(CC[5]HO)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.3790	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]O[6]C)(H)3	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(C[6]C[5a,6]O[6]C)(H)3	111.4390	0.361	2	111.4390	0.130	2	111.4390	0.130	2	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]O[6]C)(H)3	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(C[6]C[6,6]O[6]C)(H)3	111.3640	0.000	1	111.3640	0.000	1	111.1890	0.016	4	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]O[6]C)(H)3	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(C[6]C[6,6]O[6]C)(H)3	111.1910	0.000	1	111.1307	0.004	3	111.1890	0.016	4	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]O[6]C)(H)3	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(C[6]C[6,6]O[6]C)(H)3	111.0720	0.000	1	111.1307	0.004	3	111.1890	0.016	4	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]O[6]C)(H)3	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(C[6]C[6,6]O[6]C)(H)3	111.1290	0.000	1	111.1307	0.004	3	111.1890	0.016	4	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2	C(C[6]C[6,6a]O[6]C)(F)3	C(C[6]C[6,6a]O[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]Nb[6,6])(CF3)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(F)3	C(C[6]C[6,6a]O[6]C)(F)3	110.1345	0.738	2	110.1345	0.544	2	110.1345	0.544	2	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,5,6])(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	109.8760	0.202	2	109.8760	0.041	2	110.1084	0.948	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	111.7330	0.000	1	111.7330	0.000	1	110.1084	0.948	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]O[6]C)(H)3	C(C[6]C[6,6a]O[6]C)(H)3	109.5285	0.576	2	109.5285	0.332	2	110.1084	0.948	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.1430	0.000	1	110.1430	0.000	1	109.8370	0.191	3	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.6840	0.492	2	109.6840	0.242	2	109.8370	0.191	3	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	109.8890	0.000	1	109.8890	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	109.8683	1.110	7	109.8683	1.232	7	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.6440	0.000	1	112.6440	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.8610	0.000	1	111.8610	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.4710	0.574	2	111.4710	0.330	2	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.4350	0.000	1	111.4350	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	112.8480	0.000	1	112.8480	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	110.8667	0.064	3	110.6810	0.278	6	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.3360	0.000	1	110.6810	0.278	6	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	109.8380	0.000	1	110.6810	0.278	6	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	110.3120	0.000	1	110.6810	0.278	6	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.0670	0.000	1	111.0670	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.1590	0.000	1	111.1590	0.000	1	110.7731	1.253	22	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[4,6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[4,6]C[4,6]C[4])(S[6]C[6])(CH3)2	C(C[6]N[4,6]S[6]C)(H)3	C(C[6]N[4,6]S[6]C)(H)3	C[6](N[4,6]C[4,6]C[4])(S[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[6]N[4,6]S[6]C)(H)3	C(C[6]N[4,6]S[6]C)(H)3	111.2040	0.000	1	111.2040	0.000	1	111.2040	0.000	1	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(F)3	C[6](N[6]C[6,6a]H)(N[6]N[6])(CF3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(F)3	C(C[6]N[6]2C)(F)3	111.2195	0.087	2	111.2195	0.008	2	111.2195	0.008	2	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<2>,2|N<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	110.7765	0.589	2	111.1997	0.711	3	111.5120	0.929	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[5a,6]H)(N[6]C[6])(CH3)2{1|N<3>,2|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	112.0460	0.000	1	111.1997	0.711	3	111.5120	0.929	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6]C)(N[6]C[6])(CH3)2{1|Ta<12>,1|C<4>,1|C<5>,1|H<1>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	112.8650	0.000	1	112.8650	0.000	1	111.5120	0.929	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a])(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.0960	0.000	1	111.0960	0.000	1	111.5120	0.929	5	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	C[6](N[6]C[5,6]C)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	110.0160	0.000	1	110.0160	0.000	1	110.9693	0.320	6	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	C[6](N[6]C[6,6a]H)(O[6]C[6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	111.3030	0.170	2	111.3030	0.029	2	110.9693	0.320	6	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	C[6](N[6]C[6,6a]O)(O[6]C[6])(CH3)2{2|C<3>,2|C<4>}	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	110.9115	0.520	2	110.9115	0.270	2	110.9693	0.320	6	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	C[6](N[6]C[6]C)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]N[6]O[6]C)(H)3	C(C[6]N[6]O[6]C)(H)3	111.3710	0.000	1	111.3710	0.000	1	110.9693	0.320	6	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C(C[6]N[6]S[6]C)(H)3	C(C[6]N[6]S[6]C)(H)3	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]N[6]S[6]C)(H)3	C(C[6]N[6]S[6]C)(H)3	111.8360	0.000	1	111.6810	0.207	3	111.6810	0.207	3	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2	C(C[6]N[6]S[6]C)(H)3	C(C[6]N[6]S[6]C)(H)3	C[6](N[6]C[6]H)(S[6]C[6])(CH3)2{1|N<2>,1|N<3>,1|S<1>}	C(C[6]N[6]S[6]C)(H)3	C(C[6]N[6]S[6]C)(H)3	111.6035	0.614	2	111.6810	0.207	3	111.6810	0.207	3	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	O[6]-3:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](O[6]C[6]Fe)(O[6]C[6])(CH3)2	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	C[6](O[6]C[6]Fe)(O[6]C[6])(CH3)2{1|Fe<5>,1|C<4>,3|H<1>}	C(C[6]O[6]2C)(H)3	C(C[6]O[6]2C)(H)3	111.1530	0.000	1	111.1530	0.000	1	111.1530	0.000	1	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	S[6]-3:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2	C(C[6]S[6]2C)(H)3	C(C[6]S[6]2C)(H)3	C[6](S[6]C[6]O)(S[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]S[6]2C)(H)3	C(C[6]S[6]2C)(H)3	111.3510	0.000	1	111.3510	0.000	1	111.3510	0.000	1	110.8690	0.895	57	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:2:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHO)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]O[6]C)(OS)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	108.0650	0.000	1	108.0650	0.000	1	108.0650	0.000	1	109.7565	5.722	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.4480	0.000	1	111.4480	0.000	1	111.4480	0.000	1	109.7565	5.722	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(CH3){1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CCO)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C(C[6]C[6,6a]N[6]C)(CCHO)(H)2	C(C[6]C[6,6a]N[6]C)(F)3	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	110.3950	9.495	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(CH3){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CF3)(H)2	C(C[6]C[6,6a]O[6]C)(H)3	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	110.3950	9.495	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:Br-1:H-1:H-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(C[6]C[6]O[6]C)(Br)(H)2	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(C[6]C[6]O[6]C)(Br)(H)2	107.5130	0.000	1	107.5130	0.000	1	107.5130	0.000	1	110.3950	9.495	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	111.1610	0.000	2	111.1610	0.000	2	111.1610	0.000	2	110.3950	9.495	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:Br-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH)	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CBrCH)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(Br)(H)	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	110.9880	0.000	1	110.9880	0.000	1	110.9880	0.000	1	113.0393	1.667	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|N<2>,1|N<3>,3|C<3>}	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	C(C[6]C[6,6a]O[6]C)(CCHH)(H)2	114.9430	0.000	1	114.9430	0.000	1	113.7040	3.070	2	113.0393	1.667	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	C(C[6]C[6,6a]O[6]C)(CH3)(H)2	112.4650	0.000	1	112.4650	0.000	1	113.7040	3.070	2	113.0393	1.667	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6])(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	113.2800	0.000	3	113.2800	0.000	3	113.2800	0.000	3	113.0393	1.667	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:4:1:	4:1:1:1:	C[6]-3:N[6]-2:C-4:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.6935	0.404	2	110.6935	0.163	2	110.6935	0.163	2	110.6935	0.163	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:2:4:4:	4:4:4:4:	4:1:1:1:	C[6]-3:O[6]-2:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)(O[6]C[6])(CC3)(CH3)	C(C[6]C[6]O[6]C)(CH3)3	C(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	114.1545	0.136	4	114.1545	0.018	4	114.1545	0.018	4	114.1545	0.018	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[5a]-3:C[6]-4:H-1:H-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(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	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(C[5a]C[5a]O[5a])(C[6]C[6]2C)(H)2	106.9800	0.000	1	106.9800	0.000	1	106.9800	0.000	1	108.4582	1.682	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	108.6160	0.000	1	108.6160	0.000	1	108.7538	1.448	5	108.4582	1.682	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	109.4330	0.624	3	109.4330	0.389	3	108.7538	1.448	5	108.4582	1.682	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	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(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	106.8540	0.000	1	106.8540	0.000	1	108.7538	1.448	5	108.4582	1.682	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.7665	1.073	4	108.7665	1.151	4	109.0337	2.886	8	109.0337	2.886	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	112.5390	0.000	1	112.5390	0.000	1	109.0337	2.886	8	109.0337	2.886	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.0610	0.000	1	107.0610	0.000	1	109.0337	2.886	8	109.0337	2.886	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8020	0.423	2	108.8020	0.179	2	109.0337	2.886	8	109.0337	2.886	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6]2C)(CC[6a]C)(H)2	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(C[6]C[6]2C)(CC[6a]C)(H)2	111.1880	0.000	1	111.1880	0.000	1	111.1880	0.000	1	109.5163	2.388	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-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(C[6]C[6]2C)(NC[6a]C)(H)2	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(C[6]C[6]2C)(NC[6a]C)(H)2	109.2210	0.000	1	109.2210	0.000	1	108.6805	0.584	2	109.5163	2.388	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-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(C[6]C[6]2C)(NC[6a]C)(H)2	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(C[6]C[6]2C)(NC[6a]C)(H)2	108.1400	0.000	1	108.1400	0.000	1	108.6805	0.584	2	109.5163	2.388	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:3:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:C-4:H-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(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	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(C[6]C[6]2C)(NC[6a]C)(CH3)(H)	105.6120	0.000	1	105.6120	0.000	1	105.6120	0.000	1	105.6120	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	108.7055	1.029	2	108.7055	1.059	2	108.5042	0.486	4	108.5042	0.486	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	108.6480	0.000	1	108.6480	0.000	1	108.5042	0.486	4	108.5042	0.486	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CN[6]HH)(H)2	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(C[6]C[6]2C)(CN[6]HH)(H)2	107.9580	0.000	1	107.9580	0.000	1	108.5042	0.486	4	108.5042	0.486	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	3:4:2:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	109.3860	0.000	1	109.3860	0.000	1	109.3860	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2	C(C[6]C[5,6]N[6]C)(H)3	C(C[6]C[5,6]N[6]C)(H)3	C[6](C[5,6]N[5,6]N[5])(N[6]C[6]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[5,6]N[6]C)(H)3	C(C[6]C[5,6]N[6]C)(H)3	110.6970	0.000	1	110.6970	0.000	1	110.6970	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C(C[6]C[5a,6]2C)(H)3	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(C[6]C[5a,6]2C)(H)3	108.0480	0.000	1	107.7730	0.298	5	107.7730	0.298	5	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CH3)2	C(C[6]C[5a,6]2C)(H)3	C(C[6]C[5a,6]2C)(H)3	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(C[6]C[5a,6]2C)(H)3	107.7043	0.605	4	107.7730	0.298	5	107.7730	0.298	5	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	108.6320	0.000	1	108.6320	0.000	1	109.0670	0.378	2	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	109.5020	0.000	1	109.5020	0.000	1	109.0670	0.378	2	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]N[6]C)(H)3	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(C[6]C[5a,6]N[6]C)(H)3	110.0730	0.000	1	110.0497	0.001	3	110.3113	0.274	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]N[6]C)(H)3	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(C[6]C[5a,6]N[6]C)(H)3	110.0380	0.018	2	110.0497	0.001	3	110.3113	0.274	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]N[6]C)(H)3	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(C[6]C[5a,6]N[6]C)(H)3	111.0960	0.000	1	111.0960	0.000	1	110.3113	0.274	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C(C[6]C[6,6]2C)(H)3	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(C[6]C[6,6]2C)(H)3	108.4380	0.000	1	109.9147	1.081	4	109.9147	1.081	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C(C[6]C[6,6]2C)(H)3	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(C[6]C[6,6]2C)(H)3	110.6435	0.015	2	109.9147	1.081	4	109.9147	1.081	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6])2(CH3)2	C(C[6]C[6,6]2C)(H)3	C(C[6]C[6,6]2C)(H)3	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(C[6]C[6,6]2C)(H)3	109.9340	0.000	1	109.9147	1.081	4	109.9147	1.081	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.9530	0.000	1	109.9530	0.000	1	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.9867	0.566	6	110.1413	0.312	13	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.8375	0.081	2	110.1413	0.312	13	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	110.7247	0.609	3	110.1413	0.312	13	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	110.0340	0.147	2	110.1413	0.312	13	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	110.4230	1.269	2	109.3348	0.556	23	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.0591	0.627	16	109.3348	0.556	23	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.8253	0.110	3	109.3348	0.556	23	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.7170	0.348	2	109.3348	0.556	23	109.6349	0.597	37	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]N[6]C)(H)3	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(C[6]C[6,6]N[6]C)(H)3	110.2820	0.000	1	110.2820	0.000	1	110.2820	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	109.4410	0.000	1	109.4410	0.000	1	109.4410	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6a]C[6,6]C)(H)3	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(C[6]C[6,6a]C[6,6]C)(H)3	108.7840	0.000	1	108.7840	0.000	1	110.3115	3.575	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6a]C[6,6]C)(H)3	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(C[6]C[6,6a]C[6,6]C)(H)3	111.9335	0.429	2	111.9335	0.184	2	110.3115	3.575	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6a]C[6,6]C)(H)3	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(C[6]C[6,6a]C[6,6]C)(H)3	108.5950	0.000	1	108.5950	0.000	1	110.3115	3.575	4	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.5650	0.000	1	108.5650	0.000	1	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.8850	0.300	2	108.8850	0.090	2	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|N<3>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	113.8850	0.000	1	113.8850	0.000	1	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	107.5497	1.015	3	107.6948	0.557	5	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	107.9125	0.090	2	107.6948	0.557	5	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.7005	1.980	31	108.7250	2.469	73	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.6083	1.188	36	108.7250	2.469	73	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	109.5508	1.112	6	108.7250	2.469	73	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{1|B<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	109.2960	0.286	6	109.3858	0.488	9	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6,6a]C[6a])(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	109.5653	1.295	3	109.3858	0.488	9	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(CH3)2{1|H<1>,2|N<3>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	112.0910	0.182	2	112.0910	0.033	2	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	107.8705	1.625	21	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.7352	0.607	61	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	109.1918	0.644	168	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|O<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	109.1397	0.686	36	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	106.8940	0.000	1	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	106.4899	0.753	7	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{1|S<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	107.3570	1.493	11	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	108.7104	0.744	10	108.8626	0.963	315	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)2{1|H<1>,1|O<2>,5|C<3>}	C(C[6]C[6,6a]2C)(H)3	C(C[6]C[6,6a]2C)(H)3	111.6397	0.378	3	111.6397	0.143	3	108.8830	1.382	411	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:Br-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.5815	0.244	2	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.4262	0.887	4	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.2500	0.000	1	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.0995	0.213	2	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.2820	0.314	2	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.6397	0.731	4	108.8293	0.499	15	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	110.3700	0.000	1	110.3700	0.000	1	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.3490	0.000	1	108.3490	0.000	1	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.3093	0.469	4	109.3093	0.219	4	108.9712	0.537	21	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	109.0290	0.000	1	109.0290	0.000	1	109.9250	0.626	3	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	110.3730	0.216	2	110.3730	0.047	2	109.9250	0.626	3	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:Si[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2	C(C[6]C[6,6a]Si[6]C)(H)3	C(C[6]C[6,6a]Si[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C(C[6]C[6,6a]Si[6]C)(H)3	C(C[6]C[6,6a]Si[6]C)(H)3	105.9395	0.289	2	105.9395	0.084	2	105.9395	0.084	2	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.5550	0.000	1	107.5550	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4190	0.000	1	109.4190	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.1050	0.000	1	110.1050	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4762	0.403	4	109.8519	0.287	23	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.9534	0.540	18	109.8519	0.287	23	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5260	0.000	1	109.8519	0.287	23	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3825	0.185	2	109.3825	0.034	2	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4867	0.545	3	109.4867	0.297	3	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]C)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]C)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.6180	0.387	2	110.6180	0.150	2	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.2490	0.000	1	109.2490	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.0030	0.000	1	109.0030	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]H)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.0680	0.000	1	109.0680	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]N)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.3230	0.000	1	108.3230	0.000	1	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.3160	0.197	2	110.1467	0.105	3	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.8080	0.000	1	110.1467	0.105	3	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.2595	0.837	2	110.2595	0.700	2	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.0055	0.839	2	110.2188	0.377	4	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.4320	0.494	2	110.2188	0.377	4	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4070	0.000	1	109.8488	0.616	57	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8270	0.000	1	109.8488	0.616	57	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.6019	0.774	28	109.8488	0.616	57	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]O)2(CH3)2{2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.8400	0.000	1	109.8488	0.616	57	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]O)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.1328	0.702	26	109.8488	0.616	57	109.8155	0.551	103	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.7893	0.630	18	109.7893	0.396	18	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.2160	0.000	1	110.2160	0.000	1	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.6120	0.000	1	110.6120	0.000	1	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.8760	0.000	1	111.0150	0.039	2	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	111.1540	0.000	1	111.0150	0.039	2	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.6305	0.474	2	110.6305	0.225	2	110.0136	0.481	24	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	109.6020	0.000	1	109.6020	0.000	1	109.6020	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]N[5,6]C[6]C)(H)3	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(C[6]N[5,6]C[6]C)(H)3	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]N[5a,6]C[6]C)(H)3	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(C[6]N[5a,6]C[6]C)(H)3	111.5276	0.696	8	111.4222	0.524	9	111.4222	0.524	9	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]N[5a,6]C[6]C)(H)3	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(C[6]N[5a,6]C[6]C)(H)3	110.5790	0.000	1	111.4222	0.524	9	111.4222	0.524	9	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(CH3)2{1|N<2>,4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	110.8520	1.353	3	110.8520	1.831	3	111.4859	1.077	7	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{2|C<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	112.4590	0.000	1	112.3145	0.042	2	111.4859	1.077	7	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CH3)2{4|C<3>}	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	112.1700	0.000	1	112.3145	0.042	2	111.4859	1.077	7	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|N<2>}	C(C[6]N[5a,6]N[6]C)(H)3	C(C[6]N[5a,6]N[6]C)(H)3	111.6080	0.386	2	111.6080	0.149	2	111.4859	1.077	7	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.0540	0.000	1	110.0540	0.000	1	109.7083	0.120	3	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.5355	0.247	2	109.5355	0.061	2	109.7083	0.120	3	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	110.8850	0.222	2	110.8850	0.049	2	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6,6a]H)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.1330	0.000	1	111.1330	0.000	1	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)2(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6,6a]H)2(CH3)2{3|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.2355	0.289	2	111.2355	0.084	2	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6]C)(N[6]C[6]H)(CH3)2{1|C<3>,1|H<1>,1|S<1>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.2040	0.000	1	111.2040	0.000	1	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]H)2(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6]H)2(CH3)2{1|N<2>,2|N<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.2180	0.000	1	111.2180	0.000	1	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6]O)(N[6]N[6]H)(CH3)2{1|C<3>,1|H<1>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	112.4518	0.243	4	112.4518	0.059	4	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|O<1>,4|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.1485	0.339	2	111.1538	0.043	4	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CH3)2{1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(H)3	C(C[6]N[6]2C)(H)3	111.1590	0.122	2	111.1538	0.043	4	111.4812	0.410	15	109.2602	1.536	661	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	107.0966	2.945	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C(C[6]C[6,6a]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(H)2	C(C[6]C[6,6a]N[6]C)(H)3	108.2160	0.000	1	108.2160	0.000	1	108.2160	0.000	1	107.0966	2.945	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.1240	0.000	1	108.1240	0.000	1	108.1240	0.000	1	107.0966	2.945	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	105.5320	0.206	2	105.5320	0.043	2	105.8310	0.152	4	107.0966	2.945	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]H)2(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	106.1300	0.236	2	106.1300	0.056	2	105.8310	0.152	4	107.0966	2.945	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:2:1:1:	4:2:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](N[6]N[6]H)2(CHHO)2	C(C[6]N[6]2C)(OH)(H)2	C(C[6]N[6]2C)(OH)(H)2	C[6](N[6]N[6]H)2(CHHO)2{1|C<4>,2|H<1>}	C(C[6]N[6]2C)(OH)(H)2	C(C[6]N[6]2C)(OH)(H)2	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	107.1345	0.299	2	107.1345	0.089	2	107.1345	0.089	2	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.3060	0.000	1	109.3060	0.000	1	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	107.9570	0.000	1	107.9570	0.000	1	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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)(CCH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.8370	0.000	1	106.8370	0.000	1	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	107.2830	0.000	1	107.2830	0.000	1	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.0830	0.000	1	109.0830	0.000	1	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.9825	0.204	2	106.9825	0.042	2	107.7759	1.085	7	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.6710	0.000	1	106.6710	0.000	1	105.7375	1.743	2	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	104.8040	0.000	1	104.8040	0.000	1	105.7375	1.743	2	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]C)(SC[6a]O)(H)2	C(C[6]C[6,6a]N[6]C)(F)3	106.8780	0.000	1	106.8780	0.000	1	106.8780	0.000	1	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:F-1:F-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.0410	0.000	1	109.0410	0.000	1	109.0410	0.000	1	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.6030	0.000	1	109.6030	0.000	1	109.0210	0.216	4	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8270	0.314	3	108.8270	0.098	3	109.0210	0.216	4	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.3347	0.689	3	107.3347	0.475	3	107.3347	0.475	3	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3)	C(C[6]N[6]2C)(CCO)(H)2	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(CCHH)(CH3){1|Pd<4>,4|C<3>}	C(C[6]N[6]2C)(CCO)(H)2	C(C[6]N[6]2C)(H)3	111.0910	0.000	1	111.0910	0.000	1	111.0910	0.000	1	107.8701	1.953	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-2:H-1:H-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(C[6]C[6,6a]C[6]C)(CN)(H)2	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(C[6]C[6,6a]C[6]C)(CN)(H)2	108.4988	0.881	4	108.4988	0.775	4	108.4988	0.775	4	108.4988	0.775	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6,6]C[6]C)(CCH)(H)2	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(C[6]C[6,6]C[6]C)(CCH)(H)2	108.7685	0.052	2	108.7685	0.003	2	108.7685	0.003	2	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	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-3:H-1:H-1:	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(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	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(C[6]C[6,6a]C[6,6]C)(CCH)(H)2	107.1440	0.000	1	107.1440	0.000	1	107.1440	0.000	1	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C[6a]-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	C(C[6]C[6,6a]2C)(C[6a]C[6a]2)(H)2	106.0820	0.000	1	106.0820	0.000	1	106.0820	0.000	1	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	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[6a]-3:H-1:H-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(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	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(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	108.6240	0.000	1	108.6240	0.000	1	107.7255	1.615	2	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	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[6a]-3:H-1: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(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	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(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)(H)2	106.8270	0.000	1	106.8270	0.000	1	107.7255	1.615	2	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	109.1540	0.000	1	109.1540	0.000	1	108.9711	1.249	7	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	108.4287	1.200	3	108.4287	1.440	3	108.9711	1.249	7	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	108.7695	0.452	2	109.4527	1.502	3	108.9711	1.249	7	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	110.8190	0.000	1	109.4527	1.502	3	108.9711	1.249	7	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6]N[6]C)(CCH)(H)2	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(C[6]C[6]N[6]C)(CCH)(H)2	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	108.5309	1.798	14	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CBrC)(H)2	C(C[6]C[6]2C)(CH3)2(H)	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(C[6]C[6]2C)(CH3)2(H)	109.7460	0.000	1	109.7460	0.000	1	111.1250	3.803	2	111.1250	3.803	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:1:1:	4:4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:C-4:H-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(CH3)2(H)	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(C[6]C[6]2C)(CH3)2(H)	112.5040	0.000	1	112.5040	0.000	1	111.1250	3.803	2	111.1250	3.803	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:2:1:	4:3:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO)	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C(C[6]C[6,6a]2C)(CCH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CCHO){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCO)(OH)(H)	C(C[6]C[6,6a]2C)(CCH)(H)2	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	107.4650	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C(C[6]C[6,6a]N[6]C)(F)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]N[6]C)(C[6a]C[6a]2)(CN[5a]O)(H)	C(C[6]C[6,6a]N[6]C)(F)3	109.9920	0.000	1	109.9920	0.000	1	109.9920	0.000	1	110.2363	0.332	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-3:N-3:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.5170	0.414	4	110.5170	0.171	4	110.5170	0.171	4	110.2363	0.332	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:3:3:1:	4:1:1:1:	C[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:F-1:F-1:F-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(C[6]C[6]N[6]C)(F)3	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(C[6]C[6]N[6]C)(F)3	109.3580	0.000	1	109.3580	0.000	1	109.3580	0.000	1	110.2363	0.332	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	111.3920	0.000	1	111.3920	0.000	1	111.3920	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3)	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C(C[6]C[5,6]N[6]C)(H)3	C[6](C[5,6]C[5,6]N[5])(N[6]C[6]C)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[5,6]N[6]C)(CCHH)(H)2	C(C[6]C[5,6]N[6]C)(H)3	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	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(C[6]C[5a,6]N[6]C)(F)3	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(C[6]C[5a,6]N[6]C)(F)3	106.9540	0.000	1	106.9540	0.000	1	106.9540	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]N[6]C)(H)3	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(C[6]C[5a,6]N[6]C)(H)3	106.9990	0.000	1	106.9990	0.000	1	106.9990	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3)	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(CH3){1|O<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(H)3	108.6270	0.000	1	108.6270	0.000	1	108.6270	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	107.6110	0.000	1	107.6110	0.000	1	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.7230	0.000	1	106.7230	0.000	1	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.1590	0.000	1	106.1590	0.000	1	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	107.2715	0.063	2	107.2715	0.004	2	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	112.1310	0.000	1	112.1310	0.000	1	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	108.1230	1.109	2	108.1230	1.229	2	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	111.3435	0.711	2	111.3435	0.505	2	108.6100	4.856	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:P-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	111.1720	0.000	1	111.1720	0.000	1	111.1720	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	106.7990	0.000	1	106.7990	0.000	1	106.7990	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3070	0.000	1	109.3070	0.000	1	108.7762	1.223	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8588	0.895	6	108.8588	0.801	6	108.7762	1.223	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.3960	0.000	1	110.3960	0.000	1	108.7762	1.223	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]O)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]O)2(CCHH)(CH3){1|C<4>}	C(C[6]C[6]2C)(CCHN)(H)2	C(C[6]C[6]2C)(H)3	107.4530	0.742	2	107.4530	0.551	2	108.7762	1.223	10	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C)2(CCHH)(CH3)	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(H)3	C[6](N[6]C[6,6a]C)2(CCHH)(CH3){3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(H)3	109.9086	1.171	5	109.9086	1.372	5	109.9086	1.372	5	109.0230	3.247	33	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-2:H-1:H-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(C[6]C[6,6a]C[6]C)(CN)(H)2	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(C[6]C[6,6a]C[6]C)(CN)(H)2	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	109.0938	0.080	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:2:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C(C[6]C[6,6a]N[6]C)(CN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C(C[6]C[6,6a]N[6]C)(CH3)(H)2	C(C[6]C[6,6a]N[6]C)(CN)(H)2	109.2235	0.414	2	109.2235	0.171	2	109.2235	0.171	2	109.0938	0.080	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:2:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C-2:H-1:H-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(C[6]C[6]2C)(CC)(H)2	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(C[6]C[6]2C)(CC)(H)2	108.9970	0.000	1	108.9970	0.000	1	108.9970	0.000	1	109.0938	0.080	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:N-3:H-1:H-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(C[6]C[6,6a]C[6]C)(NCH)(H)2	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(C[6]C[6,6a]C[6]C)(NCH)(H)2	105.9190	0.000	1	105.9190	0.000	1	105.9190	0.000	1	108.6777	3.506	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6]2C)(CCO)(H)2	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(C[6]C[6]2C)(CCO)(H)2	110.2327	0.525	3	110.2327	0.275	3	110.2327	0.275	3	108.6777	3.506	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	107.3380	0.000	1	107.3380	0.000	1	107.7245	0.299	2	108.6777	3.506	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:3:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCCH)(H)2	C(C[6]C[6]2C)(CCH)(H)2	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(C[6]C[6]2C)(CCH)(H)2	108.1110	0.000	1	108.1110	0.000	1	107.7245	0.299	2	108.6777	3.506	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[5,6]C[6]C)(CCHH)(H)2	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(C[6]C[5,6]C[6]C)(CCHH)(H)2	115.1960	0.000	1	115.1960	0.000	1	115.1960	0.000	1	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[5a,6]N[6]C)(CH3)(H)2	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(C[6]C[5a,6]N[6]C)(CH3)(H)2	109.9485	1.163	4	109.9485	1.353	4	109.9485	1.353	4	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)2{1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCHH)(H)2	C(C[6]C[6,6a]2C)(CCHH)(H)2	107.9300	0.000	1	107.9300	0.000	1	107.9300	0.000	1	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[6,6a]C[6]C)(CH3)(H)2	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(C[6]C[6,6a]C[6]C)(CH3)(H)2	108.7870	0.430	3	108.7870	0.185	3	108.7870	0.185	3	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	C(C[6]C[6,6a]N[6]C)(CCHH)(H)2	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	108.4178	1.682	11	108.3925	2.360	13	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1: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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	108.2535	0.008	2	108.3925	2.360	13	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	109.9460	0.000	1	109.6023	0.094	3	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	109.4305	0.108	2	109.6023	0.094	3	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.0128	0.870	9	110.0128	0.756	9	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.2310	0.000	1	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.8972	1.157	9	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.8530	0.000	1	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.1720	0.000	1	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.7287	1.570	3	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	107.7100	0.000	1	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	111.7170	1.489	2	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.4425	0.701	2	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	107.5544	3.628	5	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.7515	0.108	2	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	111.0885	1.592	2	109.7241	4.199	29	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCHH)2	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(CHHO)(H)2	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(C[6]C[6]2C)(CHHO)(H)2	107.7535	1.083	2	107.7535	1.172	2	109.3845	3.245	56	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]C)2(CCHH)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	C[6](N[6]C[6,6a]C)2(CCHH)2{3|C<3>}	C(C[6]N[6]2C)(CC[6]HH)(H)2	C(C[6]N[6]2C)(CC[6]HH)(H)2	109.8143	1.247	4	109.8143	1.554	4	112.2089	3.721	12	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	112.9840	0.000	2	113.4062	0.266	8	112.2089	3.721	12	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	C[6](N[6]C[6,6a]H)(N[6]C[6]H)(CCHH)2{1|O<1>,2|C<3>}	C(C[6]N[6]2C)(CCHH)(H)2	C(C[6]N[6]2C)(CCHH)(H)2	113.5470	0.527	6	113.4062	0.266	8	112.2089	3.721	12	109.8605	4.449	78	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:4:4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	C[6](C[6]C[6]H)2(CCHH)(CC3)	C(C[6]C[6]2C)(CC[6a]CC)(H)2	C(C[6]C[6]2C)(CH3)3	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(C[6]C[6]2C)(CH3)3	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	107.7555	1.311	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:4:4:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:C-4:C-4:C-4:	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(C[6]C[6]2C)(CH3)3	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(C[6]C[6]2C)(CH3)3	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	107.7555	1.311	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-3:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6a]C[6]C)(H)3	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(C[6]C[6,6a]C[6]C)(H)3	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.5880	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.8930	2.266	2	110.8930	5.133	2	111.0900	2.683	3	111.0900	2.683	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:4:1:	4:4:1:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]O)2(CCCH)(CCHH)	C(C[6]C[6]2C)(CCHH)(CH3)(H)	C(C[6]C[6]2C)(CHHS)(H)2	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(C[6]C[6]2C)(CHHS)(H)2	111.4840	0.000	1	111.4840	0.000	1	111.0900	2.683	3	111.0900	2.683	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:4:1:	4:4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4: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(C[6]C[6]2C)(CH3)2(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(C[6]C[6]2C)(CH3)2(H)	111.6220	0.000	1	111.6220	0.000	1	112.8340	1.255	3	112.8340	1.255	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:3:4:4:	4:4:4:1:	4:4:4:1:	C[6]-3:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:C-4:C-4:H-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(C[6]C[6]2C)(CH3)2(H)	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(C[6]C[6]2C)(CH3)2(H)	113.4400	0.554	2	113.4400	0.307	2	112.8340	1.255	3	112.8340	1.255	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	3:4:1:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	108.4030	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.9615	0.450	2	109.9615	0.203	2	109.9220	0.106	3	109.7493	0.190	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	109.8430	0.000	1	109.8430	0.000	1	109.9220	0.106	3	109.7493	0.190	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	4:3:1:1:	4:1:1:1:	C[6]-3:C-4:O[6]-2:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]O[6]C)(H)3	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(C[6]C[6]O[6]C)(H)3	109.2310	0.000	1	109.2310	0.000	1	109.2310	0.000	1	109.7493	0.190	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	4:3:2:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.8795	0.646	2	110.8795	0.417	2	110.8795	0.417	2	110.8795	0.417	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:2:4:	4:3:4:1:	4:1:1:1:	C[6]-3:C-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C-4:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	111.1560	0.013	2	111.1560	0.000	2	111.1560	0.000	2	111.1560	0.000	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	3:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.7820	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[5]C[6]H)(CH3)2{2|H<1>,3|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.3620	0.000	1	107.3620	0.000	1	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]ClC)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.0830	0.000	1	107.0830	0.000	1	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.6283	0.622	3	108.4942	1.430	9	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	109.3370	0.000	1	108.4942	1.430	9	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.8452	1.331	5	108.4942	1.430	9	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	109.6540	0.298	2	109.6540	0.089	2	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.9070	1.336	2	107.9070	1.786	2	108.4010	1.417	15	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[5,6]C)(H)3	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(C[6]C[5a,6]C[5,6]C)(H)3	108.2555	0.846	2	108.2555	0.716	2	108.2555	0.716	2	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6,6]C)(H)3	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(C[6]C[5a,6]C[6,6]C)(H)3	108.5910	0.000	1	108.5910	0.000	1	108.4774	0.265	5	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6,6]C)(H)3	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(C[6]C[5a,6]C[6,6]C)(H)3	108.6083	0.608	3	108.6083	0.370	3	108.4774	0.265	5	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6,6]C)(H)3	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(C[6]C[5a,6]C[6,6]C)(H)3	107.9710	0.000	1	107.9710	0.000	1	108.4774	0.265	5	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	107.5660	0.000	1	107.5660	0.000	1	108.5383	1.039	4	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	107.9130	0.000	1	107.9130	0.000	1	108.5383	1.039	4	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	109.3370	0.711	2	109.3370	0.506	2	108.5383	1.039	4	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6,6]C)(H)3	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(C[6]C[5,6]C[6,6]C)(H)3	107.5855	0.961	2	107.5855	0.923	2	107.5855	0.923	2	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	110.0060	0.000	1	110.0060	0.000	1	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.0020	0.534	3	107.1252	0.251	4	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.4950	0.000	1	107.1252	0.251	4	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.0720	0.000	1	109.0720	0.000	1	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.2700	0.000	1	106.2700	0.000	1	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.9500	0.000	1	106.9500	0.000	1	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.4885	0.692	2	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.3810	1.074	10	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.4390	0.000	1	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.9530	0.000	1	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.5783	0.394	3	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.2460	0.000	1	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.7272	0.723	5	108.1650	0.802	23	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.6657	0.537	12	107.5264	0.416	14	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.6910	0.778	2	107.5264	0.416	14	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.1298	0.738	4	109.4371	0.646	8	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.7445	0.844	4	109.4371	0.646	8	108.1031	1.161	53	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C(C[6]C[6,6a]B[6]C)(H)3	C(C[6]C[6,6a]B[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2{1|H<1>,2|C<3>,2|N<3>}	C(C[6]C[6,6a]B[6]C)(H)3	C(C[6]C[6,6a]B[6]C)(H)3	107.2530	0.000	1	107.2530	0.000	1	107.2530	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|N<3>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	112.2057	0.438	3	112.2057	0.192	3	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	110.0020	0.000	1	110.0020	0.000	1	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	108.8000	0.000	1	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	108.7275	0.476	2	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	108.8500	0.000	1	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	109.7850	0.000	1	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	109.3510	0.000	1	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	108.6860	0.066	2	108.9516	0.194	8	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(CH3)2{2|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	111.5160	0.000	1	111.5160	0.000	1	109.9806	2.285	13	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5,6,6]C[6]H)(CH3)2{2|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.8470	0.000	1	108.8470	0.000	1	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	109.1310	0.000	1	108.9953	0.042	3	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.9275	0.238	2	108.9953	0.042	3	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	112.0990	0.000	1	111.2680	0.631	5	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	111.2667	0.758	3	111.2680	0.631	5	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	110.4410	0.000	1	111.2680	0.631	5	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.6040	0.000	1	108.6040	0.000	1	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	109.6355	1.363	2	109.4695	0.863	4	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.7460	0.000	1	109.4695	0.863	4	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	109.8610	0.000	1	109.4695	0.863	4	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	109.6010	0.000	1	109.6010	0.000	1	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(CH3)2{2|C<3>,2|H<1>,4|C<4>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	110.7580	0.000	1	110.7580	0.000	1	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.4880	0.034	2	108.4880	0.001	2	109.7772	1.475	18	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.2695	0.432	2	109.2695	0.187	2	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.6770	0.000	1	108.6770	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.9880	0.119	2	108.9880	0.014	2	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	110.0433	2.649	3	109.2385	2.642	8	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.7556	0.580	5	109.2385	2.642	8	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.8730	0.000	1	108.8730	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.7180	0.000	1	107.7180	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.7090	0.147	4	107.7090	0.022	4	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.3520	0.000	1	108.3520	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.4212	0.286	12	108.3485	0.126	15	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)2{1|O<1>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.0577	0.526	3	108.3485	0.126	15	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.8910	0.000	1	108.8910	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	110.6317	0.346	4	110.3044	0.625	5	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.9950	0.000	1	110.3044	0.625	5	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FeH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.1440	0.000	1	108.1440	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|Br<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.6660	0.000	1	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.7980	0.082	2	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	110.3962	0.313	4	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.9730	0.000	1	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.9600	0.000	1	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.6634	0.507	37	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.0130	0.079	2	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.4460	0.000	1	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.3345	0.436	2	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.9748	0.965	5	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.4927	1.519	3	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.4050	0.000	1	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.8360	0.143	4	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.5817	1.062	4	108.7043	0.660	68	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.7400	0.000	1	108.7400	0.000	1	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]RuH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.1700	0.110	2	108.1700	0.012	2	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	107.7525	0.103	2	107.7525	0.011	2	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	109.2030	1.183	3	109.0017	0.667	6	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|N<2>}	C(C[6]C[6,6a]C[6]C)(H)3	C(C[6]C[6,6a]C[6]C)(H)3	108.8003	0.385	3	109.0017	0.667	6	108.7203	0.806	121	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)2(I)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHI)(CH3){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	C(C[6]C[6,6a]C[6]C)(H)3	110.7190	0.759	2	110.7190	0.577	2	110.8247	0.322	3	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3)	C(C[6]C[6,6a]C[6]C)(H)2(I)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CHHI)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(H)2(I)	C(C[6]C[6,6a]C[6]C)(H)3	111.0360	0.000	1	111.0360	0.000	1	110.8247	0.322	3	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C(C[6]C[6,6a]N[6]C)(H)3	C(C[6]C[6,6a]N[6]C)(H)3	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6a]-3:Si[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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	C(C[6]C[6,6a]Si[6]C)(H)3	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	C(C[6]C[6,6a]Si[6]C)(H)3	106.6060	0.000	1	106.6060	0.000	1	106.6060	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3810	0.000	1	109.3810	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.9205	0.250	2	108.9205	0.062	2	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.9650	0.000	1	108.9650	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.5310	0.000	1	110.5310	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4170	0.000	1	109.4170	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.7360	0.000	1	109.7360	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.0320	0.000	1	108.0320	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8850	0.000	1	109.2550	0.679	4	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.9210	0.000	1	109.2550	0.679	4	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.4850	0.000	1	109.2550	0.679	4	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.7290	0.000	1	109.2550	0.679	4	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]N)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.2617	0.193	3	108.2617	0.037	3	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	106.3980	0.000	1	106.3980	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3972	0.658	9	109.2695	0.429	11	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6950	0.136	2	109.2695	0.429	11	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.3853	0.861	3	108.3853	0.742	3	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.8400	0.013	2	109.8400	0.000	2	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.7130	0.000	1	107.7130	0.000	1	108.9885	0.805	33	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-3:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]N[6]C)(H)3	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(C[6]C[6]N[6]C)(H)3	110.8980	0.000	1	110.8980	0.000	1	110.8980	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2	C(C[6]N[3,6]C[6]C)(H)3	C(C[6]N[3,6]C[6]C)(H)3	C[6](N[3,6]C[3,6,6]C[3,6])(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]N[3,6]C[6]C)(H)3	C(C[6]N[3,6]C[6]C)(H)3	111.7750	0.000	1	111.7750	0.000	1	111.7750	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	110.7340	0.000	1	110.7340	0.000	1	110.2399	0.374	7	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	110.8040	0.151	2	110.8040	0.023	2	110.2399	0.374	7	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	110.3210	0.000	1	110.3210	0.000	1	110.2399	0.374	7	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	109.6720	0.428	3	109.6720	0.183	3	110.2399	0.374	7	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2	C(C[6]N[5a,6]C[6,6]C)(H)3	C(C[6]N[5a,6]C[6,6]C)(H)3	C[6](N[5a,6]C[5a,6,6a]C[5a,6a])(C[6,6]C[3x6]C[6]H)(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]N[5a,6]C[6,6]C)(H)3	C(C[6]N[5a,6]C[6,6]C)(H)3	109.1340	0.635	3	109.1340	0.403	3	109.1340	0.403	3	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(H)3	C[6](N[6,6]C[3x6]C[6])(C[6]C[6]HH)(CH3)2{1|C<5>,1|N<4>,2|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(H)3	108.8260	0.000	1	108.8260	0.000	1	108.8260	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]B[3,3]C[6])(C[6]C[6]HH)(CH3)2{1|Si<5>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.1910	0.000	1	110.1910	0.000	1	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.9495	0.829	2	111.1478	1.343	4	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|H<1>,5|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	111.3460	1.785	2	111.1478	1.343	4	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.9165	0.139	2	109.9165	0.019	2	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6]H)(C[6]O[6]HN)(CH3)2{2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.7010	0.000	1	110.7010	0.000	1	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.5520	0.000	1	109.6670	0.244	6	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.1430	0.000	1	109.6670	0.244	6	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.2750	0.168	2	109.6670	0.244	6	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.3785	0.019	2	109.6670	0.244	6	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.2800	0.000	1	107.1821	0.500	14	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|Rh<4>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.8970	0.000	1	107.1821	0.500	14	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.0310	0.546	12	107.1821	0.500	14	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]N[5a,6]H)(C[6]S[6]CH)(CH3)2{1|C<3>,1|N<2>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.3260	0.000	1	110.3260	0.000	1	108.7653	3.047	29	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)2{2|C<3>,2|O<2>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	107.1580	0.379	2	107.1580	0.144	2	107.3598	0.184	8	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	107.9715	0.264	2	107.4270	0.207	6	107.3598	0.184	8	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6])(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	107.1548	0.160	4	107.4270	0.207	6	107.3598	0.184	8	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	S[6]-3:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](S[6]C[6,6a]O)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	108.7695	1.530	323	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(OH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CHHO)(CH3){1|H<1>,1|O<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(OH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	108.4580	0.000	1	108.4580	0.000	1	108.4580	0.000	1	108.0175	0.388	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:2:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	108.0175	0.388	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[5a,6]-3:C[6,6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	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(C[6]C[5a,6]C[6,6]C)(OH)(H)2	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(C[6]C[5a,6]C[6,6]C)(OH)(H)2	109.9250	0.000	1	109.9250	0.000	1	109.9250	0.000	1	110.2360	0.193	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-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(C[6]C[6]2C)(OH)(H)2	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(C[6]C[6]2C)(OH)(H)2	110.5470	0.000	1	110.5470	0.000	1	110.5470	0.000	1	110.2360	0.193	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:O-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.0012	6.705	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(H)3	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(C[6]C[5a,6]C[6]C)(H)3	106.6590	0.000	1	106.6590	0.000	1	106.6590	0.000	1	109.0012	6.705	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.1370	0.000	1	106.1370	0.000	1	106.1370	0.000	1	109.0012	6.705	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	109.0012	6.705	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:1:1:1:	N[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3)	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,4|C<3>}	C(C[6]C[6]N[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[6]N[6]C)(H)3	110.4840	0.000	1	110.4840	0.000	1	110.4840	0.000	1	109.0012	6.705	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:2:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO)	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(CHHO){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(NC[6a]C)(H)2	C(C[6]C[6,6a]C[6]C)(OC[6a])(H)2	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	106.7220	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(CH3)(H)2	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(C[6]C[5a,6]C[6]C)(CH3)(H)2	110.4805	1.194	2	110.4805	1.426	2	110.4805	1.426	2	110.3457	0.768	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.0760	0.000	1	110.0760	0.000	1	110.0760	0.000	1	110.3457	0.768	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:2:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3)	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[5a]HO)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(C[5a]C[5a]2)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	108.9160	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:3:3:2:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:O-2:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3)	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(CH3){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)2(OSi)	C(C[6]C[6,6a]C[6]C)(H)3	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	109.3000	0.000	1	109.3000	0.000	1	110.2377	0.669	3	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	110.8030	0.000	1	110.7065	0.019	2	110.2377	0.669	3	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	110.6100	0.000	1	110.7065	0.019	2	110.2377	0.669	3	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.8310	0.000	1	106.8310	0.000	1	106.9095	0.279	4	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.3075	0.012	2	107.3075	0.000	2	106.9095	0.279	4	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.1920	0.000	1	106.1920	0.000	1	106.9095	0.279	4	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]C)(CHHN)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	107.0665	0.926	2	107.0665	0.857	2	108.7268	6.810	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCHH)(CH3){2|H<1>,5|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	108.1470	0.352	2	108.1470	0.124	2	108.7268	6.810	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCCO)(H)2	C(C[6]C[6,6a]C[6]C)(H)3	113.2070	0.000	1	113.2070	0.000	1	108.7268	6.810	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	111.3320	0.000	1	111.3320	0.000	1	108.6100	2.341	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.7680	0.000	2	107.7680	0.000	2	108.6100	2.341	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.0910	0.000	2	108.0910	0.000	2	108.6100	2.341	5	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:S-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3835	0.179	2	109.3835	0.032	2	109.3835	0.032	2	108.6212	3.310	19	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	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(C[6]C[6,6]C[6]C)(OC)(H)2	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(C[6]C[6,6]C[6]C)(OC)(H)2	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	108.1930	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(CNO)(H)2	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(C[6]C[5a,6]C[6]C)(CNO)(H)2	112.2750	0.000	1	112.2750	0.000	1	109.7127	4.932	3	109.7127	4.932	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:3:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(COO)(H)2	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(C[6]C[5a,6]C[6]C)(COO)(H)2	108.4315	0.127	2	108.4315	0.016	2	109.7127	4.932	3	109.7127	4.932	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[5,6]O[5])(C[6]C[6a]N[6]H)(CCHH)2{2|C<4>,4|C<3>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	113.3390	0.000	1	113.3390	0.000	1	110.4185	17.059	2	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]HH)(CCHH)2{1|Pt<5>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	107.4980	0.000	1	107.4980	0.000	1	110.4185	17.059	2	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[5a,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[5a,6]C[6]C)(CH3)(H)2	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(C[6]C[5a,6]C[6]C)(CH3)(H)2	108.5780	0.000	1	108.5780	0.000	1	108.5780	0.000	1	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	107.9930	0.153	2	107.9930	0.023	2	108.1297	0.068	3	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CCHH)(H)2	C(C[6]C[6,6a]C[6]C)(CH3)(H)2	108.4030	0.000	1	108.4030	0.000	1	108.1297	0.068	3	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	109.7250	0.000	1	109.7250	0.000	1	109.7250	0.000	1	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:1:1:	4:4:1:1:	N[5,6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	C(C[6]N[5,6]C[6]C)(CCHH)(H)2	111.1690	0.000	1	111.1690	0.000	1	111.1690	0.000	1	109.3372	3.998	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[3]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.9840	0.000	1	108.9840	0.000	1	108.9840	0.000	1	109.4990	1.471	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.2480	0.000	1	109.2480	0.000	1	109.6278	1.851	4	109.4990	1.471	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.7543	1.637	3	109.7543	2.681	3	109.6278	1.851	4	109.4990	1.471	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:3:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(CH3)(NOO)(H)	C(C[6]C[6,6a]C[6]C)(H)3	113.0145	0.409	2	113.0145	0.168	2	113.0145	0.168	2	113.0145	0.168	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6,6a]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(C[6]C[6,6a]C[6]C)(H)3	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(CH3)2(H)	C(C[6]C[6,6a]C[6]C)(H)3	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	110.8380	5.120	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	3:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-3:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	110.8380	5.120	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:2:4:	3:4:1:1:	4:3:1:1:	C-4:S[6]-2:S[6]-2:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](CC[6a]HH)(S[6]C[6])2(CHHN)	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C(C[6]S[6]2C)(NCC)(H)2	C[6](CC[6a]HH)(S[6]C[6])2(CHHN){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(C[6]S[6]2C)(H)2	C(C[6]S[6]2C)(NCC)(H)2	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	112.1040	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3,6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2	C(C[6]C[3,6,6]O[6]C)(H)3	C(C[6]C[3,6,6]O[6]C)(H)3	C[6](C[3,6,6]C[3,6]C[6,6]O[3])(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[3,6,6]O[6]C)(H)3	C(C[6]C[3,6,6]O[6]C)(H)3	111.4873	0.645	3	111.4873	0.416	3	111.4873	0.416	3	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[4,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[4,6]O[6]C)(H)3	C(C[6]C[4,6]O[6]C)(H)3	C[6](C[4,6]C[4,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[4,6]O[6]C)(H)3	C(C[6]C[4,6]O[6]C)(H)3	112.6160	0.000	1	112.6160	0.000	1	112.6160	0.000	1	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,5,6]C[5,6]H)(O[6]O[6])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	109.9750	0.000	1	109.9750	0.000	1	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(O[6]O[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	108.9360	0.000	2	108.9360	0.000	2	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(O[6]C[5,6])(CH3)2{1|H<1>,5|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	109.3200	0.000	1	109.3200	0.000	1	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[5,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.6130	0.000	1	111.6130	0.000	1	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.1670	0.267	3	111.1743	0.048	4	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6])(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.1960	0.000	1	111.1743	0.048	4	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.8110	0.480	5	111.4801	0.267	10	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.1928	0.341	4	111.4801	0.267	10	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	110.9750	0.000	1	111.4801	0.267	10	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	110.6170	0.000	1	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	109.9967	0.412	3	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	109.8520	0.000	1	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	111.9090	0.000	1	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	108.3220	0.000	1	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]O[6]C)(H)3	C(C[6]C[5,6]O[6]C)(H)3	110.1953	1.121	6	110.1432	1.121	13	110.6294	1.172	32	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2	C(C[6]C[5,6]S[6]C)(H)3	C(C[6]C[5,6]S[6]C)(H)3	C[6](C[5,6]O[5,6]C[6a]O[5])(S[6]C[6])(CH3)2{1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[5,6]S[6]C)(H)3	C(C[6]C[5,6]S[6]C)(H)3	109.7345	0.121	2	109.7345	0.015	2	109.7345	0.015	2	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	108.7620	0.000	1	108.7620	0.000	1	108.7620	0.000	1	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{1|H<1>,2|C<4>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	108.3535	1.153	2	109.1917	2.773	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.8680	0.000	1	109.1917	2.773	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.4175	0.777	2	110.4175	0.604	2	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]H)(O[6]Si[6])(CH3)2{1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	111.7930	0.000	1	111.7930	0.000	1	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.9850	0.000	1	110.7773	0.044	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(O[6]C[6,6a])(CH3)2{2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.6735	0.151	2	110.7773	0.044	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	111.1470	0.000	1	111.2120	0.008	2	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CH3)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	111.2770	0.000	1	111.2120	0.008	2	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.3700	0.000	1	110.3597	0.868	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.8545	0.517	2	110.3597	0.868	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	111.6375	1.494	2	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.8080	0.215	3	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.5710	0.000	1	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.8635	0.645	4	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.9880	0.000	1	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{1|S<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.1030	0.000	1	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	110.4771	1.146	7	110.6924	0.810	19	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.1540	0.000	1	109.2307	0.472	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.9530	0.000	1	109.2307	0.472	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(CH3)2{3|C<4>,5|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	108.5850	0.000	1	109.2307	0.472	3	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.5330	0.000	1	109.2424	0.735	5	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6]3)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(H)3	C(C[6]C[6,6]O[6]C)(H)3	109.1697	0.972	4	109.2424	0.735	5	110.3194	1.167	41	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.5580	0.000	2	107.5580	0.000	2	107.5580	0.000	2	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3)	C(C[6]C[6]O[6]C)(Cl)2(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HN)(O[6]C[6])(CCl2H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(Cl)2(H)	C(C[6]C[6]O[6]C)(H)3	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<2>,3|C<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	109.9655	0.326	2	109.4968	0.356	6	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	109.7110	0.296	2	109.4968	0.356	6	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	108.5640	0.000	1	109.4968	0.356	6	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]B[6])(CF3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	109.0640	0.000	1	109.4968	0.356	6	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]C[6]HH)(O[6]In[6])(CF3)2{1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	109.1330	0.000	1	109.1330	0.000	1	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Ge[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	108.6700	0.000	1	108.6700	0.000	1	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	C[6](C[6]P[6]HH)(O[6]Si[6])(CF3)2{1|O<2>,1|W<6>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(F)3	108.8520	0.000	1	108.8520	0.000	1	109.2929	0.330	9	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){1|O<1>,1|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(H)3	109.4420	0.000	1	108.5432	0.316	5	108.5432	0.316	5	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3)	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CF3)(CH3){2|O<2>,3|C<4>}	C(C[6]C[6]O[6]C)(F)3	C(C[6]C[6]O[6]C)(H)3	108.3185	0.290	4	108.5432	0.316	5	108.5432	0.316	5	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6,6]CH)(O[6]O[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.8390	0.000	1	111.8390	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6,6])(CH3)2{1|H<1>,4|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.2205	0.322	2	109.2205	0.104	2	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[5,6]HH)(O[6]C[6])(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.7210	0.000	1	110.7210	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	107.5750	0.000	1	107.5750	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6,6a])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.2200	0.000	1	111.2200	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CH3)2{1|C<3>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.9010	0.000	1	109.9010	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]CH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.8120	0.000	1	110.8120	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6a]HH)(O[6]C[6])(CH3)2{1|H<1>,3|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.0540	0.000	1	111.0540	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]2H)(O[6]C[6])(CH3)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	108.3650	0.000	1	108.3650	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.0245	0.189	2	112.0245	0.036	2	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.3590	0.000	1	110.5190	1.526	5	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.3375	0.313	2	110.5190	1.526	5	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.7805	0.067	2	110.5190	1.526	5	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]BrH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.2220	0.000	1	109.2220	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.8177	0.458	3	110.8177	0.210	3	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.8473	0.499	3	108.9038	0.521	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	108.6679	0.560	12	108.9038	0.521	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.0453	0.566	3	111.5711	0.659	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.8180	0.000	1	111.5711	0.659	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.6730	0.000	1	111.5711	0.659	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.6473	0.312	3	111.5711	0.659	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]ClH)(O[6]C[6,6a])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.7420	0.000	1	110.7420	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]FH)(O[6]C[6])(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	108.9030	0.000	1	108.9030	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.1405	0.173	2	109.9705	0.055	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]B[6])(CH3)2{2|C<4>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.8005	0.142	2	109.9705	0.055	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[4,6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.3415	0.552	2	110.3415	0.305	2	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.2570	0.000	1	111.0821	2.104	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.1610	0.000	1	111.0821	2.104	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.5030	1.189	2	111.0821	2.104	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.8083	0.282	4	111.0821	2.104	8	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.3847	0.774	3	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.1190	0.000	1	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.2468	0.825	4	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.9460	0.000	1	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.8713	0.277	3	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.0950	0.281	2	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.0420	0.000	1	110.8035	0.889	15	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]N[6,6])(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.4220	0.000	1	110.4220	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]P[6])(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.8720	0.000	1	111.8720	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[3x6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.6690	0.000	1	111.6690	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.5430	0.000	1	111.5430	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.5680	0.000	1	110.8815	1.159	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{1|H<1>,1|N<4>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	112.0280	0.000	1	110.8815	1.159	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.9650	0.113	2	110.8815	1.159	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.1670	0.000	1	110.2698	0.040	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.4300	0.000	1	110.2698	0.040	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.4440	0.000	1	110.2698	0.040	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.0380	0.000	1	110.2698	0.040	4	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HS)(O[6]C[6,6])(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.2550	0.097	6	110.2550	0.009	6	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(O[6]B[6])(CH3)2{1|C<4>,1|O<2>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	110.8080	0.000	1	110.8080	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CC)(O[6]C[6])(CH3)2{1|B<3>,2|C<3>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	109.9480	0.000	1	109.9480	0.000	1	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]O[6]CH)(O[6]C[6])(CH3)2{1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(H)3	C(C[6]C[6]O[6]C)(H)3	111.2815	0.223	2	111.2815	0.050	2	110.4150	1.434	97	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2	C(C[6]C[6]S[6]C)(F)3	C(C[6]C[6]S[6]C)(F)3	C[6](C[6]C[6,6]HH)(S[6]C[6,6])(CF3)2{1|C<4>,1|O<2>,1|S<2>,2|H<1>}	C(C[6]C[6]S[6]C)(F)3	C(C[6]C[6]S[6]C)(F)3	110.0685	0.614	2	110.0685	0.378	2	110.0685	0.378	2	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	109.8620	0.000	1	110.5260	0.882	2	110.5260	0.882	2	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:S[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]C[6])(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	111.1900	0.000	1	110.5260	0.882	2	110.5260	0.882	2	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:N[6]-2:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](Si[6]C[6]CC)(N[6]C[6,6])(CH3)2	C(C[6]Si[6]N[6]C)(H)3	C(C[6]Si[6]N[6]C)(H)3	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	C(C[6]Si[6]N[6]C)(H)3	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	110.3176	1.476	199	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3)	C(C[6]C[5,6]O[6]C)(OC)(H)2	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]O[5,6]C[5]H)(O[6]O[6])(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[6]C[5,6]O[6]C)(OC)(H)2	C(C[6]C[5,6]O[6]C)(H)3	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	111.5550	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2	C(C[6]C[6]O[6]C)(OH)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CHHO)2{1|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(OH)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	110.3050	0.133	2	110.3050	0.018	2	110.3050	0.018	2	110.3050	0.018	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	C(C[6]C[5,6]O[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(O[6]C[6])(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]O[6]C)(CC[6a]O)(H)2	C(C[6]C[5,6]O[6]C)(H)3	112.2325	0.209	2	112.2325	0.044	2	112.2325	0.044	2	110.8450	1.908	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[5,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(H)3	110.3085	0.517	2	110.3085	0.267	2	109.9200	0.586	3	110.8450	1.908	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.1430	0.000	1	109.1430	0.000	1	109.9200	0.586	3	110.8450	1.908	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|N<3>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(COO)(OS)(H)	C(C[6]C[6]O[6]C)(H)3	111.7520	0.000	1	111.7520	0.000	1	111.7520	0.000	1	112.7120	0.913	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3)	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CC[6]HO)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]O[6]C)(C[6]C[6]2)(OSi)(H)	C(C[6]C[6]O[6]C)(H)3	113.1920	0.666	2	113.1920	0.444	2	113.1920	0.444	2	112.7120	0.913	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	111.9665	0.244	2	111.9665	0.060	2	111.2810	1.390	5	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	109.5190	0.000	1	109.5190	0.000	1	111.2810	1.390	5	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(O[6]C[6,6a])(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	112.3070	0.000	1	112.3070	0.000	1	111.2810	1.390	5	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3)	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(O[6]C[5a,6])(CCHH)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6]O[6]C)(CCHH)(H)2	C(C[6]C[6,6]O[6]C)(H)3	110.6460	0.000	1	110.6460	0.000	1	111.2810	1.390	5	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)3	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:I-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)2(I)	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHI){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)2(I)	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]CH)(O[6]C[6,6a])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.5955	1.699	2	109.5955	2.887	2	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6,6]HH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(H)3	109.6550	0.000	1	109.6550	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.3165	1.290	4	109.6428	2.221	13	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.7920	2.049	5	109.6428	2.221	13	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	110.0827	1.261	3	109.6428	2.221	13	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6,6])(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	108.8830	0.000	1	109.6428	2.221	13	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.8150	0.000	1	109.8150	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]CH)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[3]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	110.9080	0.000	1	110.9080	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]O[6]C)(CC[4]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	110.3210	0.000	1	110.3210	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.6120	0.000	1	109.6120	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(C[6]C[6]O[6]C)(H)3	110.4320	0.000	2	110.4320	0.000	2	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HI)(O[6]C[6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	110.8920	0.000	1	110.8920	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.8720	0.000	2	109.9378	0.778	5	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	111.4190	0.000	1	109.9378	0.778	5	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6,6])(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.2630	0.000	2	109.9378	0.778	5	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	111.9592	0.528	4	109.5695	2.502	17	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	111.4360	0.000	1	109.5695	2.502	17	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(H)3	108.6174	0.426	12	109.5695	2.502	17	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HO)(O[6]C[6])(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]O[6]C)(CC[6]HH)(H)2	C(C[6]C[6]O[6]C)(H)3	109.3510	0.000	1	109.3510	0.000	1	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]N[6]CH)(O[6]N[6])(CCHH)(CH3){1|C<3>,1|C<4>,1|S<4>}	C(C[6]C[6]O[6]C)(CHHO)(H)2	C(C[6]C[6]O[6]C)(H)3	111.5290	0.000	2	111.5290	0.000	2	109.8207	1.783	48	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3)	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CC[6]HH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6,6]O[6]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(H)3	106.1770	0.000	1	106.1770	0.000	1	106.1770	0.000	1	109.9162	2.189	56	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[5]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	C[6](C[6]C[6]HO)(O[6]C[6])(CC[5]HH)(CHHO){1|C<4>,4|H<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(H)2	C(C[6]C[6]O[6]C)(OH)(H)2	108.2975	0.161	2	108.2975	0.026	2	108.2975	0.026	2	108.2975	0.026	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(CH3)(H)2	C[6](C[6]C[5,6]HH)(O[6]C[6])(CCHH)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]O[6]C)(CH3)(H)2	C(C[6]C[6]O[6]C)(CH3)(H)2	110.1810	0.000	1	110.1810	0.000	1	111.9755	6.440	2	111.8010	3.312	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]N[6]HH)(O[6]C[6])(CCHH)2{1|H<1>,1|S<4>,2|C<4>}	C(C[6]C[6]O[6]C)(CCHH)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	113.7700	0.000	1	113.7700	0.000	1	111.9755	6.440	2	111.8010	3.312	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	C[6](C[6]C[6]CH)(O[6]C[6])(CC[5]HH)(CCHH){1|C<2>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C(C[6]C[6]O[6]C)(CCHH)(H)2	111.4520	0.000	1	111.4520	0.000	1	111.4520	0.000	1	111.8010	3.312	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6,6])(CCHO)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]O[6]C)(CHHO)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	107.6410	0.000	1	107.6410	0.000	1	109.9804	2.212	5	109.9804	2.212	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	110.4713	0.975	3	110.5652	0.669	4	109.9804	2.212	5	109.9804	2.212	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:O[6]-2:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3)	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	C[6](C[6]C[6]HH)(O[6]C[6])(CCHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]O[6]C)(CCHH)(OH)(H)	C(C[6]C[6]O[6]C)(H)3	110.8470	0.000	1	110.5652	0.669	4	109.9804	2.212	5	109.9804	2.212	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	107.7810	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	105.4990	0.000	1	105.4990	0.000	1	108.7375	20.976	2	108.7375	20.976	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	3:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	111.9760	0.000	1	111.9760	0.000	1	108.7375	20.976	2	108.7375	20.976	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[5a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.5470	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	3:4:4:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6a]-3:C[6]-4:C-4:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	110.5937	1.082	3	110.5937	1.171	3	110.5937	1.171	3	110.5937	1.171	3	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[3,6]C[6]C)(H)3	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(C[6]C[3,6]C[6]C)(H)3	108.7635	0.018	2	108.7635	0.000	2	108.7635	0.000	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2	C(C[6]C[3x6]C[5,6]C)(H)3	C(C[6]C[3x6]C[5,6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5])(CH3)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[5,6]C)(H)3	C(C[6]C[3x6]C[5,6]C)(H)3	107.5650	0.000	1	107.5650	0.000	1	107.5650	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[3x6]C)(H)3	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(C[6]C[5a,6]C[3x6]C)(H)3	109.4365	0.303	2	108.7366	0.615	5	108.7366	0.615	5	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5a,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5a,6]C[3x6]C)(H)3	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(C[6]C[5a,6]C[3x6]C)(H)3	108.2700	0.607	3	108.7366	0.615	5	108.7366	0.615	5	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[3x6]C[6]C)(H)3	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(C[6]C[3x6]C[6]C)(H)3	107.4640	0.000	1	107.4640	0.000	1	107.4640	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6,6]C[6]C)(H)3	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(C[6]C[5,6,6]C[6]C)(H)3	107.7500	0.000	1	107.7500	0.000	1	107.7500	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	108.9020	0.000	1	108.9020	0.000	1	108.1985	0.990	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,3|O<2>,4|C<3>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	107.4950	0.000	1	107.4950	0.000	1	108.1985	0.990	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	C[6](C[5,6]C[5,3x6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(H)3	C(C[6]C[6,6a]C[5,6]C)(H)3	109.4290	0.955	2	109.4290	0.911	2	109.4290	0.911	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	109.7720	0.000	1	109.7720	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.0100	0.000	1	108.0100	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	107.8820	0.000	1	107.9970	0.026	2	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.1120	0.000	1	107.9970	0.026	2	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	106.6340	0.000	1	106.6340	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	105.3530	0.000	1	105.3530	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.3080	0.000	1	108.2498	0.390	5	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.4570	0.140	2	108.2498	0.390	5	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.8320	0.000	1	108.2498	0.390	5	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	107.1950	0.000	1	108.2498	0.390	5	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	107.5750	0.000	1	105.7835	6.419	2	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	103.9920	0.000	1	105.7835	6.419	2	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.1570	0.000	2	108.1570	0.000	2	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.5860	0.000	1	108.5860	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	109.5180	0.000	1	109.5180	0.000	1	107.8234	2.020	17	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	108.1170	2.178	2	107.8943	2.520	3	107.8943	2.520	3	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	C(C[6]C[5,6]N[5,6]C)(H)3	C(C[6]C[5,6]N[5,6]C)(H)3	107.4490	0.000	1	107.8943	2.520	3	107.8943	2.520	3	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2	C(C[6]C[5,6]N[6]C)(H)3	C(C[6]C[5,6]N[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(CH3)2{1|N<3>,3|C<3>,3|H<1>}	C(C[6]C[5,6]N[6]C)(H)3	C(C[6]C[5,6]N[6]C)(H)3	110.1775	0.071	2	110.1775	0.005	2	110.1775	0.005	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(CH3)2{2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	107.8045	0.052	2	107.8045	0.003	2	107.8045	0.003	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6a]C[6,6]C)(H)3	C(C[6]C[6,6a]C[6,6]C)(H)3	108.0460	0.000	1	108.0460	0.000	1	108.0460	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.7715	0.104	2	109.4192	0.153	6	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.2430	0.357	4	109.4192	0.153	6	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.5910	0.000	1	107.5910	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.7840	0.000	1	107.7840	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.5900	0.164	2	107.5900	0.027	2	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.4510	0.000	1	107.8237	1.171	3	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.0430	0.000	1	107.8237	1.171	3	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.9770	0.000	1	107.8237	1.171	3	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.0370	0.000	1	107.0245	0.000	2	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.0120	0.000	1	107.0245	0.000	2	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.5110	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.1617	0.650	4	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.6300	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.6310	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.5472	0.588	5	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.2390	0.092	2	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.2155	0.710	16	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.3402	1.231	18	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.9285	0.425	2	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.9690	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.3230	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.2517	0.249	3	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.5240	0.000	1	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.1524	0.627	5	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.3180	0.425	3	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.7954	0.453	36	108.0798	0.567	100	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.5610	0.000	1	109.5610	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.5840	0.000	1	106.5840	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.0340	0.451	3	106.0340	0.203	3	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.3630	0.000	1	108.3630	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.0500	0.000	1	108.0500	0.000	1	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.8015	0.019	2	108.8015	0.000	2	108.0712	0.746	124	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]H)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	107.2760	0.000	1	107.2760	0.000	1	108.9010	5.281	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6]S)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]N[6]C)(H)3	C(C[6]C[6,6]N[6]C)(H)3	110.5260	0.000	1	110.5260	0.000	1	108.9010	5.281	2	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:S[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2	C(C[6]C[6,6]S[6]C)(H)3	C(C[6]C[6,6]S[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(S[6]C[6]Co)(CH3)2{1|O<2>,1|P<4>,2|C<4>,4|H<1>}	C(C[6]C[6,6]S[6]C)(H)3	C(C[6]C[6,6]S[6]C)(H)3	110.3820	0.000	1	110.3820	0.000	1	110.3820	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:Cl-1:Cl-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.3460	0.000	1	108.1922	0.841	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.3614	0.915	5	108.1922	0.841	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6120	0.000	1	108.6120	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6700	0.000	1	108.6700	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	104.6000	0.283	2	104.6000	0.080	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8055	1.210	2	108.8055	1.464	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.0730	0.461	2	108.0730	0.213	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.6960	0.000	1	107.6960	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.1790	0.000	1	109.1790	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5200	0.100	2	109.5200	0.010	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6970	0.566	2	108.6970	0.320	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.9203	0.598	3	109.2287	2.152	4	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.1540	0.000	1	109.2287	2.152	4	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.3320	0.000	1	109.3320	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4640	0.000	1	109.4640	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5493	0.315	6	109.5493	0.099	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	104.8150	0.000	1	104.6664	4.278	7	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.4280	0.000	1	104.6664	4.278	7	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	102.6230	0.000	1	104.6664	4.278	7	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	106.9300	0.000	1	104.6664	4.278	7	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	103.6230	1.651	3	104.6664	4.278	7	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.0387	1.101	3	109.4578	1.511	4	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.7150	0.000	1	109.4578	1.511	4	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.9090	0.000	1	108.3082	2.372	5	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	105.8050	0.000	1	108.3082	2.372	5	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6090	0.440	3	108.3082	2.372	5	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.3620	0.000	1	107.3620	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	105.9970	0.000	1	104.4391	0.709	10	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	104.3044	0.766	7	104.4391	0.709	10	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	104.1315	0.337	2	104.4391	0.709	10	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.2415	0.204	2	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.8175	0.984	2	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.1596	0.890	7	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.7220	0.000	1	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6967	0.790	12	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.3150	0.364	4	108.5563	1.086	28	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.9060	0.000	1	108.7360	0.369	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.7352	0.317	5	108.7360	0.369	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.6520	0.000	1	108.7360	0.369	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6950	0.024	2	108.7360	0.369	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.3940	0.000	1	110.3940	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.8070	0.335	4	109.4566	0.213	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.9860	0.100	2	109.4566	0.213	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5300	0.000	1	109.4566	0.213	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.5580	0.000	1	109.4566	0.213	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8210	0.000	1	109.4566	0.213	9	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.4560	0.000	1	107.4560	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]Ir)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.9300	0.000	1	106.9300	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4220	0.000	1	108.8770	1.155	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.0520	0.000	1	108.8770	1.155	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.1655	0.688	2	108.8770	1.155	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.8610	0.000	1	108.8770	1.155	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.5960	0.000	1	108.8770	1.155	6	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.6865	0.800	2	109.6865	0.640	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8180	0.000	1	108.7316	0.433	5	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]C[6]C)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.7100	0.758	4	108.7316	0.433	5	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ZrH)(C[6]C[6]Zr)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ZrH)(C[6]C[6]Zr)(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0440	0.000	1	109.0440	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.1380	0.000	1	109.1380	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4340	0.000	1	109.4340	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.2130	0.000	1	108.7227	0.614	15	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.0480	0.361	3	108.7227	0.614	15	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.4075	0.414	11	108.7227	0.614	15	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.4590	0.000	1	109.6910	0.108	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]N[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.9230	0.000	1	109.6910	0.108	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.5500	0.478	2	110.5500	0.228	2	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(C[6]C[6]N)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.6530	0.000	1	109.6530	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HO)(C[6]C[6]O)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.6970	0.000	1	110.6970	0.000	1	108.2977	3.210	145	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:H-1:H-1: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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.5970	0.000	1	110.5970	0.000	1	110.5970	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:F-1:F-1:F-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2	C(C[6]C[6]N[6]C)(F)3	C(C[6]C[6]N[6]C)(F)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CF3)2{2|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(F)3	C(C[6]C[6]N[6]C)(F)3	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[5,6]H)(CH3)2{1|C<4>,1|O<2>,2|N<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.9890	0.000	1	109.9890	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5,6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.4610	0.379	4	109.4610	0.144	4	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[5a,6]HH)(N[6]C[6,6]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.9910	0.000	1	109.9910	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]H)(CH3)2{2|S<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.4910	1.500	2	108.4910	2.251	2	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.9357	0.545	4	109.5810	0.463	8	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6]HH)(N[6]C[6]O)(CH3)2{2|S<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.2262	0.668	4	109.5810	0.463	8	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]C)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.9630	0.000	1	110.9630	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|N<3>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.5457	0.162	4	110.4836	0.039	5	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.2350	0.000	1	110.4836	0.039	5	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.7610	0.000	1	110.8380	0.012	2	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6,6a]HH)(N[6]C[6]O)(CH3)2{3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.9150	0.000	1	110.8380	0.012	2	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]BrH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.1300	0.222	2	109.1300	0.049	2	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]BrH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.6080	0.000	1	110.6080	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Al)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.0283	0.194	6	107.0283	0.038	6	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]B)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.2342	1.543	11	108.2342	2.380	11	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.0364	0.535	8	108.9148	2.630	35	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.2180	0.000	1	108.9148	2.630	35	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]C)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.1734	1.782	26	108.9148	2.630	35	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Cd)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.4245	0.421	4	107.4245	0.177	4	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.1000	0.006	2	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.4828	0.542	4	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.8360	0.112	4	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.2940	0.000	1	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.9220	0.000	1	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.1330	0.000	1	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.8927	0.625	4	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]H)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.0010	0.868	2	109.1262	1.301	19	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Li)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.5860	0.000	2	108.5860	0.000	2	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Mg)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.2452	0.979	4	107.2452	0.959	4	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<2>,1|C<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.8700	0.000	1	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.0138	1.287	6	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,1|N<3>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.5520	0.703	4	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.9820	0.000	1	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.7380	0.000	1	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.6685	0.513	34	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.5060	0.584	47	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.7571	0.407	8	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.5320	0.000	1	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.5884	0.767	86	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.4922	0.994	6	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]O)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.4877	0.924	171	109.0572	0.951	366	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]P)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.8605	0.873	24	107.8605	0.763	24	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Re)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.2790	0.000	1	110.2790	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]Si)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.1150	1.054	4	109.1150	1.110	4	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6a]O[6]O)(N[6]C[6]H)(CH3)2{1|N<2>,3|C<3>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.9550	0.000	1	110.9550	0.000	1	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]H)(CH3)2{1|C<4>,1|H<1>,1|P<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.1433	0.471	3	110.1433	0.221	3	108.9765	1.264	507	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	Si[6,6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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	C(C[6]Si[6,6]N[6]C)(H)3	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	C(C[6]Si[6,6]N[6]C)(H)3	109.0850	0.000	1	109.0850	0.000	1	109.0850	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	Si[6]-4:N[6]-3:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-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	C(C[6]Si[6]N[6]C)(H)3	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	C(C[6]Si[6]N[6]C)(H)3	107.8560	0.000	1	107.8560	0.000	1	107.8560	0.000	1	108.6859	1.687	823	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3)	C(C[6]C[5,6]2C)(OH)(H)2	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(CHHO)(CH3){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(OH)(H)2	C(C[6]C[5,6]2C)(H)3	108.2930	2.407	2	108.2930	5.794	2	108.2930	5.794	2	108.2890	1.734	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	109.4830	0.000	1	109.4830	0.000	1	109.4830	0.000	1	108.2890	1.734	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1: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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.5920	0.000	1	107.5920	0.000	1	107.4905	0.021	2	108.2890	1.734	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.3890	0.000	1	107.3890	0.000	1	107.4905	0.021	2	108.2890	1.734	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.6840	0.000	1	108.6840	0.000	1	108.6840	0.000	1	108.2890	1.734	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	108.4320	0.000	1	108.4320	0.000	1	108.4320	0.000	1	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.8015	2.252	2	107.8015	5.072	2	108.2258	3.591	5	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.8850	0.000	1	109.8850	0.000	1	108.2258	3.591	5	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.1100	0.000	1	106.1100	0.000	1	108.2258	3.591	5	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.5310	0.000	1	109.5310	0.000	1	108.2258	3.591	5	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	108.4314	2.758	8	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:2:1:1:	C[5,6]-4:C[6,6a]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO)	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCHH)(CHHO){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C(C[6]C[6,6a]C[5,6]C)(CCH)(H)2	C(C[6]C[6,6a]C[5,6]C)(OH)(H)2	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	106.4110	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:3:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-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(C[6]C[5,6]C[6]C)(CCH)(H)2	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(C[6]C[5,6]C[6]C)(CCH)(H)2	105.9980	0.000	1	105.9980	0.000	1	105.9980	0.000	1	109.4080	9.925	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:3:1:1:	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[6a]-3:H-1:H-1:	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(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	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(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	109.4080	9.925	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2	C(C[6]C[6]N[6]C)(NCC)(H)2	C(C[6]C[6]N[6]C)(NCC)(H)2	C[6](C[6]O[6]HH)(N[6]C[6]C)(CHHN)2{1|C<3>,2|H<1>}	C(C[6]C[6]N[6]C)(NCC)(H)2	C(C[6]C[6]N[6]C)(NCC)(H)2	112.0775	0.418	2	112.0775	0.175	2	112.0775	0.175	2	109.4080	9.925	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6a]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	108.0720	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[3,6]C[6]C)(H)3	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(C[6]C[3,6]C[6]C)(H)3	111.5300	0.582	3	111.5300	0.338	3	111.5300	0.338	3	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3x6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[3x6]C[6]C)(H)3	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(C[6]C[3x6]C[6]C)(H)3	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.6090	0.000	1	109.6090	0.000	1	109.2874	2.291	7	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	106.2680	0.000	1	106.2680	0.000	1	109.2874	2.291	7	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6,6]C[6]C)(H)3	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(C[6]C[6,6]C[6]C)(H)3	109.8270	0.876	5	109.8270	0.767	5	109.2874	2.291	7	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	105.6240	0.000	1	105.6240	0.000	1	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.2840	0.000	1	108.2840	0.000	1	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.1795	0.903	2	107.1795	0.815	2	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	106.3930	0.000	1	106.3930	0.000	1	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	107.9070	0.000	1	107.9070	0.000	1	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	108.8690	0.000	1	108.9725	0.021	2	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	109.0760	0.000	1	108.9725	0.021	2	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.7200	0.000	1	110.7200	0.000	1	107.9147	2.466	9	108.9394	3.550	21	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	108.0210	0.000	1	108.0210	0.000	1	110.2443	3.714	3	110.8730	4.057	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	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(C[6]C[6]2C)(CH3)(H)2	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(C[6]C[6]2C)(CH3)(H)2	111.2740	0.000	1	111.2740	0.000	1	110.2443	3.714	3	110.8730	4.057	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-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(C[6]C[6]2C)(CCHH)(H)2	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(C[6]C[6]2C)(CCHH)(H)2	111.4380	0.000	1	111.4380	0.000	1	110.2443	3.714	3	110.8730	4.057	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:N[6]-3:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]H)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	112.7590	0.000	1	112.7590	0.000	1	112.7590	0.000	1	110.8730	4.057	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:2:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:O-2:H-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(C[6]C[6]2C)(CH3)(OH)(H)	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(C[6]C[6]2C)(CH3)(OH)(H)	107.7115	0.709	2	107.7115	0.503	2	107.7115	0.503	2	107.7115	0.503	2	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:1:1:	4:4:4:4:	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-4:C-4:C-4:	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(C[6]C[3,6]C[6]C)(CH3)3	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(C[6]C[3,6]C[6]C)(CH3)3	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[5,6]C[6]C)(H)3	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(C[6]C[5,6]C[6]C)(H)3	111.1730	0.000	1	111.1730	0.000	1	111.1730	0.000	1	110.2965	5.354	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	111.5370	0.326	3	111.5370	0.106	3	111.2278	0.453	4	110.2965	5.354	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	110.3000	0.000	1	110.3000	0.000	1	111.2278	0.453	4	110.2965	5.354	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	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(C[6]C[6]2C)(H)3	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(C[6]C[6]2C)(H)3	105.6950	0.000	1	105.6950	0.000	1	105.6950	0.000	1	110.2965	5.354	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:3:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-3:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:Cl-1:Cl-1: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(C[6]C[6]2C)(Cl)2(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(C[6]C[6]2C)(Cl)2(H)	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	108.2280	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6]-4:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CC[6a]HH)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	109.0120	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(C[6]C[6,6]C[6]C)(H)2	C(C[6]C[6,6]C[6]C)(H)3	103.6475	0.317	2	103.6475	0.101	2	103.6475	0.101	2	104.7487	1.022	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3)	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CC[5a]HH)(CH3){1|C<4>,4|H<1>}	C(C[5a]C[5a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	105.2225	0.091	2	105.2225	0.008	2	105.2225	0.008	2	104.7487	1.022	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CC[6a]HH)(CH3){2|H<1>,3|C<4>}	C(C[6a]C[6a]O[6a])(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	104.5580	0.000	1	104.5580	0.000	1	105.3760	1.338	2	104.7487	1.022	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]O[6]CH)(CC[6a]HH)(CH3){2|C<3>,2|C<4>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	106.1940	0.000	1	106.1940	0.000	1	105.3760	1.338	2	104.7487	1.022	6	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	3:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6a]-3:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[6a]HO)(CH3){2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(H)3	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.1110	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2	C(C[6]C[3,5,6]C[6]C)(H)3	C(C[6]C[3,5,6]C[6]C)(H)3	C[6](C[3,5,6]C[3,5,6,6]C[3,6]C[5])(C[6]C[6,6]CO)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3,5,6]C[6]C)(H)3	C(C[6]C[3,5,6]C[6]C)(H)3	104.5700	0.000	1	104.5700	0.000	1	104.5700	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2	C(C[6]C[3,6,6]C[5,6]C)(H)3	C(C[6]C[3,6,6]C[5,6]C)(H)3	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,4|C<4>,4|H<1>}	C(C[6]C[3,6,6]C[5,6]C)(H)3	C(C[6]C[3,6,6]C[5,6]C)(H)3	108.7850	0.000	1	108.7850	0.000	1	108.7850	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2	C(C[6]C[3,6,6]C[6]C)(H)3	C(C[6]C[3,6,6]C[6]C)(H)3	C[6](C[3,6,6]C[3,6]2C[5,6])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C(C[6]C[3,6,6]C[6]C)(H)3	C(C[6]C[3,6,6]C[6]C)(H)3	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,3]N[3,6]H)(C[6]O[6]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	110.8400	0.000	1	110.8400	0.000	1	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	109.5270	0.000	1	109.5270	0.000	1	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	103.5330	0.000	1	103.5330	0.000	1	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	108.9380	0.000	1	109.0965	0.050	2	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	109.2550	0.000	1	109.0965	0.050	2	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]H)(C[6]O[6]CH)(CH3)2{1|C<4>,1|H<1>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	110.9160	0.000	1	110.9160	0.000	1	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3]2N[6])(C[6]C[6]HH)(CH3)2{3|C<3>,3|C<4>}	C(C[6]C[3,6]C[6]C)(H)3	C(C[6]C[3,6]C[6]C)(H)3	108.6640	0.000	1	108.6640	0.000	1	108.8104	6.192	7	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2	C(C[6]C[3x6]C[5,6]C)(H)3	C(C[6]C[3x6]C[5,6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[5,6]C[5,6]N[5]H)(CH3)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[3x6]C[5,6]C)(H)3	C(C[6]C[3x6]C[5,6]C)(H)3	108.7780	0.000	2	108.7780	0.000	2	108.7780	0.000	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.8110	0.000	1	107.8110	0.000	1	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[3,6,6]HH)(CH3)2{1|H<1>,2|O<2>,5|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	108.1730	0.000	1	108.1730	0.000	1	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	108.8930	0.000	1	108.8070	0.015	2	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6,6]HH)(CH3)2{1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	108.7210	0.000	1	108.8070	0.015	2	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	108.0100	1.080	3	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.8010	0.000	1	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.7190	0.000	1	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.7830	0.000	1	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.4481	0.349	8	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	106.8870	0.000	1	107.5870	0.319	15	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.8960	0.000	1	107.8960	0.000	1	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5,6,6]C[4x6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.9262	0.677	4	107.9262	0.459	4	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[5x6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	107.4690	0.000	1	107.4690	0.000	1	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[6]C[3x6]C[6]C)(H)3	C(C[6]C[3x6]C[6]C)(H)3	105.5114	0.156	5	105.5114	0.024	5	107.4010	1.048	30	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(H)3	108.3090	0.000	1	108.3090	0.000	1	108.7990	0.480	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(H)3	C[6](C[4,6]N[4,6]C[4]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[4,6]C[6]C)(H)3	C(C[6]C[4,6]C[6]C)(H)3	109.2890	0.000	1	109.2890	0.000	1	108.7990	0.480	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[4x6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2	C(C[6]C[4x6]C[6]C)(H)3	C(C[6]C[4x6]C[6]C)(H)3	C[6](C[4x6]C[3x6]C[6,6]2)(C[6]C[6]HH)(CH3)2{2|O<2>,4|C<4>,5|H<1>}	C(C[6]C[4x6]C[6]C)(H)3	C(C[6]C[4x6]C[6]C)(H)3	105.6970	0.000	1	105.6970	0.000	1	105.6970	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[5,6,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(CH3)2{2|C<3>,3|C<4>,5|H<1>}	C(C[6]C[5,5,6,6]C[6]C)(H)3	C(C[6]C[5,5,6,6]C[6]C)(H)3	108.2840	0.000	1	108.2840	0.000	1	108.4425	0.050	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[5,6,6]C[5,6]O[5,5])(C[6]C[6]HH)(CH3)2{4|C<4>,5|H<1>}	C(C[6]C[5,5,6,6]C[6]C)(H)3	C(C[6]C[5,5,6,6]C[6]C)(H)3	108.6010	0.000	1	108.6010	0.000	1	108.4425	0.050	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(H)3	108.4897	0.387	3	107.6795	2.725	4	107.6795	2.725	4	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CH3)2{1|C<3>,2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[5,5,6]C[6]C)(H)3	C(C[6]C[5,5,6]C[6]C)(H)3	105.2490	0.000	1	107.6795	2.725	4	107.6795	2.725	4	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,5,3x6]C[5,6]C)(C[6]C[6]CH)(CH3)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	109.3060	0.000	1	109.3060	0.000	1	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	107.6510	0.000	1	107.6510	0.000	1	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	108.6630	0.038	2	108.6630	0.001	2	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	107.1900	0.000	1	107.1900	0.000	1	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	106.5070	0.348	3	106.3674	0.197	5	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6,6]C[6]C)(H)3	C(C[6]C[5,6,6]C[6]C)(H)3	106.1580	0.631	2	106.3674	0.197	5	107.3310	1.445	10	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	111.1300	0.000	1	111.1300	0.000	1	109.0875	1.733	19	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Mo)2(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Mo)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	108.3950	0.000	1	108.3950	0.000	1	109.0875	1.733	19	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Re)2(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Re)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	109.3135	1.240	4	109.3135	1.537	4	109.0875	1.733	19	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Ru)2(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Ru)2(CH3)2{2|H<1>,5|C<4>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	108.6957	1.124	12	108.6957	1.264	12	109.0875	1.733	19	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Ti)2(CH3)2	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]Ti)2(CH3)2{1|Si<4>,2|H<1>,4|C<4>}	C(C[6]C[5,6]2C)(H)3	C(C[6]C[5,6]2C)(H)3	111.5350	0.000	1	111.5350	0.000	1	109.0875	1.733	19	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6]H)(CH3)2{1|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	106.8700	0.000	1	106.8700	0.000	1	106.8700	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CO)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	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[6]CO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.0350	0.000	1	108.0350	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.8412	0.510	6	107.6737	0.262	13	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|O<2>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.5301	0.504	7	107.6737	0.262	13	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.2100	0.000	1	108.2100	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6,6]CO)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	104.4820	0.000	1	104.4820	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[3,6]HH)(CH3)2{1|H<1>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.6777	0.605	3	107.6777	0.366	3	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.7470	0.000	1	108.3775	0.273	2	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6,6]CH)(CH3)2{1|C<3>,1|O<2>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.0080	0.000	1	108.3775	0.273	2	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.0975	0.972	2	108.6316	0.392	15	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.6675	1.015	2	108.6316	0.392	15	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{1|H<1>,1|I<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.7590	0.000	1	108.6316	0.392	15	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.7185	0.562	10	108.6316	0.392	15	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]2H)(C[6]C[6]HH)(CH3)2{3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.1095	0.115	2	107.1095	0.013	2	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.7440	0.000	1	107.7440	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HO)(CH3)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	109.9505	0.552	2	109.9505	0.305	2	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]ClH)(CH3)2{1|B<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.8940	0.000	1	107.8940	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.3710	0.721	4	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.3610	0.000	1	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.5480	0.000	1	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(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(C[6]C[5,6]C[6]C)(H)3	107.6950	0.000	1	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	108.0042	0.224	4	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.5190	0.390	3	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.9590	0.244	6	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.7220	0.000	1	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.4770	0.000	1	107.7552	0.193	22	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.4445	0.361	4	107.4445	0.131	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]HH)(CH3)2{2|C<4>,3|C<3>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	106.9230	0.000	1	106.9230	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.8550	0.000	1	107.8550	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	105.8895	0.762	4	105.8895	0.580	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]HH)(CH3)2{1|O<2>,4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	106.0780	0.000	1	106.0780	0.000	1	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	109.8880	0.000	1	108.7752	2.351	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|N<3>,3|C<4>,3|H<1>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	109.0165	1.776	2	108.7752	2.351	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{3|C<3>,4|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	107.1800	0.000	1	108.7752	2.351	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]O[5,6]O[5]C)(C[6]C[6]CC)(CH3)2{1|O<2>,3|C<4>}	C(C[6]C[5,6]C[6]C)(H)3	C(C[6]C[5,6]C[6]C)(H)3	106.0452	0.471	4	106.0452	0.222	4	107.7541	1.115	83	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]O[5]2)(CH3)2{1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6,6]C)(H)3	C(C[6]C[5,6]C[6,6]C)(H)3	107.0960	0.000	1	107.0960	0.000	1	107.0960	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HN)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.6250	0.459	4	108.6250	0.210	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.5660	0.777	9	108.5660	0.603	9	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.0993	0.515	4	107.1918	0.242	5	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3,6]C[6,6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.5620	0.000	1	107.1918	0.242	5	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.8980	0.000	1	106.8980	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6,6]HH)(CH3)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.2680	0.000	1	108.2680	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3710	0.000	1	107.7949	0.333	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.9363	0.531	4	107.7949	0.333	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.7240	0.940	2	107.7949	0.333	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]HH)(CH3)2{1|O<1>,4|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.8315	0.248	2	107.8315	0.062	2	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]2H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.9940	0.000	1	108.9940	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.6250	0.279	2	107.6538	0.487	14	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3543	0.155	3	107.6538	0.487	14	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.9540	0.726	6	107.6538	0.487	14	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.0387	0.310	3	107.6538	0.487	14	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.3410	0.000	1	107.2260	0.394	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.5210	0.262	3	107.2260	0.394	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]HH)(CH3)2{3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.3720	0.096	2	108.3720	0.009	2	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|H<1>,2|O<2>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.9800	0.000	1	106.9800	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.8340	0.293	2	108.2260	0.367	5	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.8230	0.000	1	108.2260	0.367	5	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]BrH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.8195	0.455	2	108.2260	0.367	5	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.3280	0.000	1	107.7250	0.399	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.6720	0.000	1	107.7250	0.399	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3975	0.465	4	107.7250	0.399	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.4850	0.000	1	107.7250	0.399	7	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CO)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.1240	0.000	1	107.1240	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]ClH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.5245	0.366	2	108.5245	0.134	2	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.7700	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Br<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3197	0.943	4	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(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(C[6]C[6,6]C[6]C)(H)3	107.6970	0.259	5	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.7380	0.072	2	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3750	0.248	6	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.9800	0.318	2	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.9290	0.505	2	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.6270	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(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(C[6]C[6,6]C[6]C)(H)3	107.1275	0.788	2	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3782	0.475	40	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3980	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3020	0.519	6	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|F<1>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.2820	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|I<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.7297	0.840	3	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.2020	0.138	3	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.6722	0.163	5	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.5385	0.292	4	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.2843	0.504	12	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(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(C[6]C[6,6]C[6]C)(H)3	106.8340	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.6893	0.707	15	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.6660	0.000	1	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.1953	0.631	80	107.3643	0.349	197	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.8135	0.073	2	108.0065	0.078	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HI)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.1995	0.284	2	108.0065	0.078	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HN)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.1645	0.036	2	108.1645	0.001	2	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(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(C[6]C[6,6]C[6]C)(H)3	108.5215	0.066	2	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.2760	0.000	1	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.2855	0.233	2	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.3608	0.803	46	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.5005	0.418	2	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.7200	1.001	18	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.0230	0.000	1	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.6114	0.543	7	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.6446	0.618	99	107.5874	0.515	178	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HS)(CH3)2{1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.3180	0.000	1	108.3180	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SeH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.0350	0.000	1	108.0350	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]SiH)(CH3)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.0520	0.000	1	107.0520	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	109.1580	0.000	1	109.1580	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.3753	0.426	7	106.4599	0.164	9	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(CH3)2{4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.7560	0.016	2	106.4599	0.164	9	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Co<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.5510	0.000	1	106.7512	0.026	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Cr<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.8815	0.008	2	106.7512	0.026	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]N[6]H)(C[6]C[6]HN)(CH3)2{1|Ni<4>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.6910	0.000	1	106.7512	0.026	4	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[3,6]HO)(CH3)2{1|H<1>,2|O<2>,3|C<4>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	106.4710	0.000	1	106.4710	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]2O[6])(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	109.4760	0.000	1	109.4760	0.000	1	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.5875	0.392	2	108.3417	0.166	13	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|C<3>,3|C<4>,6|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	108.5617	0.105	7	108.3417	0.166	13	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(CH3)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(H)3	C(C[6]C[6,6]C[6]C)(H)3	107.8338	0.303	4	108.3417	0.166	13	107.5425	0.516	479	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:F-1:F-1:F-1:	C[6](C[6]C[6]HH)2(CFHH)(CF3)	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(F)3	C[6](C[6]C[6]HH)2(CFHH)(CF3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(F)3	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:F-1:F-1:H-1:	C[6](C[6]C[6]HH)2(CFFH)(CFHH)	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(F)2(H)	C[6](C[6]C[6]HH)2(CFFH)(CFHH){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(F)2(H)	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:F-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3)	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CFHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(F)(H)2	C(C[6]C[6]2C)(H)3	109.4515	0.517	2	109.4515	0.267	2	109.4515	0.267	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.9070	0.509	2	108.9070	0.259	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[3x6]HO)(C[6]C[6]CH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4560	0.262	2	108.4560	0.068	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4135	0.350	2	109.4135	0.123	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HO)(C[6]C[5,6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4090	0.000	1	108.4090	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4560	0.707	5	108.2205	0.733	6	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.0430	0.000	1	108.2205	0.733	6	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CC)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CC)2(CH3)2{2|C<4>,3|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	103.9625	0.258	2	103.9625	0.067	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3560	0.000	1	108.3090	0.924	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7855	0.450	2	108.3090	0.924	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5300	0.000	1	107.7517	0.059	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.8625	0.210	2	107.7517	0.059	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CO)(C[6]C[6]HH)(CH3)2{2|C<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3750	0.000	1	108.3750	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.7240	0.000	1	108.7240	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4410	0.000	1	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.2126	0.578	9	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(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(C[6]C[6]2C)(H)3	109.3117	0.383	19	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3645	0.397	2	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4160	0.115	2	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.8840	0.000	1	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|Cl<1>,1|H<1>,1|N<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.6515	0.302	2	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.2220	0.000	1	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.1175	0.644	2	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.8520	0.000	1	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.6380	0.393	2	109.0145	0.470	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.8525	0.753	2	108.7050	0.349	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4100	0.000	1	108.7050	0.349	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[5,6]HH)(CH3)2{2|C<4>,4|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.5700	0.000	1	108.5700	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]O)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.1160	0.000	1	107.1160	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6,6a]HH)(CH3)2{1|C<3>,1|N<2>,1|N<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.9580	0.000	1	108.9580	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.5202	0.451	14	109.4027	0.186	23	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(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(C[6]C[6]2C)(H)3	109.1050	0.000	1	109.4027	0.186	23	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(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(C[6]C[6]2C)(H)3	109.2173	0.393	7	109.4027	0.186	23	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3520	0.000	1	109.4027	0.186	23	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HN)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.2770	0.470	3	108.2770	0.220	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0675	0.405	2	109.0675	0.164	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]N[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.6805	0.493	2	110.6805	0.243	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a]O[6]H)(C[6]O[6]HH)(CH3)2{1|C<4>,1|N<2>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.2120	0.000	1	110.2120	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.6173	0.455	3	107.2834	1.090	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.9555	1.667	2	107.2834	1.090	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.6105	0.950	2	107.2834	1.090	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5700	0.165	2	107.5574	0.232	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.2830	0.000	1	107.5574	0.232	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.3697	0.481	4	107.5574	0.232	7	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HO)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.7050	0.000	1	106.7050	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7700	0.000	1	107.9915	0.098	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6,6]HO)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.2130	0.000	1	107.9915	0.098	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.7690	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.3820	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(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(C[6]C[6]2C)(H)3	109.3513	0.973	3	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4335	0.649	23	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3200	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.7320	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.2820	0.526	142	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(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(C[6]C[6]2C)(H)3	109.1373	0.938	132	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|O<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3650	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1300	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.1485	0.688	2	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.8965	0.166	2	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.5320	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1165	0.520	2	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7180	0.399	2	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.3160	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.1960	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4962	0.640	17	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.4140	0.000	1	109.0912	0.637	335	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.7760	0.000	1	109.7760	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)2(CH3)2{1|H<1>,2|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3120	0.000	1	108.3120	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(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(C[6]C[6]2C)(H)3	109.5840	0.000	1	109.5840	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3060	0.000	1	107.6805	0.783	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HH)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.0550	0.000	1	107.6805	0.783	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HO)(C[6]C[6]HO)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.2370	0.000	1	107.2370	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]CO)(C[6]C[6]HH)(CH3)2{1|N<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.6730	0.000	1	108.6730	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]CO)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.7825	0.330	2	108.7825	0.109	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<2>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3153	0.432	25	109.3287	0.214	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3861	0.276	8	109.3287	0.214	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(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(C[6]C[6]2C)(H)3	109.6827	0.143	3	109.3287	0.214	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4532	0.743	4	109.3287	0.214	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4860	0.417	2	109.3287	0.214	42	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)2(CH3)2{1|C<3>,2|N<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4530	0.000	2	109.4530	0.000	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.3540	0.000	1	108.4082	2.137	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]BrH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7597	0.825	3	108.4082	2.137	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]CO)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.4680	0.000	1	106.4680	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1400	0.429	4	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(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(C[6]C[6]2C)(H)3	108.9980	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.5600	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.2770	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.4050	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(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(C[6]C[6]2C)(H)3	107.4570	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.6750	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4050	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.2150	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.7660	0.000	1	108.7168	0.857	13	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HI)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.6900	0.000	1	109.6900	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.2410	0.000	1	108.7140	1.974	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.4760	0.000	1	108.7140	1.974	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4250	0.000	1	108.7140	1.974	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.2380	0.000	1	105.9700	0.144	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	105.7020	0.000	1	105.9700	0.144	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CN)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.4250	0.000	1	106.4250	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.0810	0.000	1	107.4756	0.234	5	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CO)(C[6]C[6]HH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5742	0.497	4	107.4756	0.234	5	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ClH)(C[6]C[6]CH)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.5073	0.483	3	108.5073	0.233	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]CH)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7293	0.680	3	107.7293	0.462	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3790	0.000	1	108.4473	0.007	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.5370	0.000	1	108.4473	0.007	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)(C[6]C[6]HH)(CH3)2{1|C<4>,2|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.4260	0.000	1	108.4473	0.007	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FeH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FeH)2(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4043	0.588	8	109.4043	0.346	8	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HN)(CH3)2{2|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.5240	0.000	1	109.5240	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|B<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.7760	0.000	1	108.4020	0.784	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CH3)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0280	0.000	1	108.4020	0.784	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5135	0.347	2	107.5217	0.060	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HS)(CH3)2{1|O<2>,4|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5380	0.000	1	107.5217	0.060	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.1670	1.324	2	107.7995	0.788	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.4320	0.270	2	107.7995	0.788	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,1|S<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0760	0.000	1	109.0270	0.021	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0025	0.197	2	109.0270	0.021	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.7600	0.000	1	109.7600	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.6270	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4676	0.410	5	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.9570	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.8520	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|N<3>,1|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3453	0.474	41	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1139	0.696	78	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.0940	0.303	2	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<3>,2|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.9395	0.724	25	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.4760	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|N<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.0990	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.2770	0.030	2	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|N<2>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.1000	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|C<4>,2|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.9148	0.462	18	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.3030	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.7853	0.191	3	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.9370	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.3760	0.395	6	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.9643	0.263	3	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.7275	0.115	2	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|N<3>,2|O<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.9050	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<1>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.5170	0.412	2	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|O<2>,4|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	106.5870	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{1|Ru<10>,1|O<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1320	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.3200	0.000	1	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CH3)2{3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3949	0.494	30	109.1101	0.694	229	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ZrH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ZrH)2(CH3)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3600	0.000	1	108.4777	0.018	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]ZrH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]ZrH)2(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.5365	0.120	2	108.4777	0.018	3	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.1685	0.303	2	109.1685	0.092	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.5420	0.000	1	107.5420	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]C)(C[6]C[6]HH)(CH3)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.3280	0.000	1	108.3280	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]O[6]H)(C[6]O[6]HH)(CH3)2{1|P<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.1126	0.412	14	110.1126	0.170	14	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]HH)(C[6]N[6]HH)(CH3)2{1|C<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.4350	0.000	1	110.4350	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5,6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5,6]HH)2(CH3)2{1|Ge<4>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.9500	0.000	1	108.9500	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|W<7>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.5680	0.000	1	109.5680	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)(C[6]C[6]HH)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.6600	0.212	2	109.6600	0.045	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)2(CH3)2{1|Ga<5>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.9750	0.000	1	110.4875	0.475	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6,6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6,6]HH)2(CH3)2{1|In<5>,2|P<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.0000	0.000	1	110.4875	0.475	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]CH)(C[6]O[6]HH)(CH3)2{1|C<3>,1|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.3970	0.079	2	109.3970	0.006	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]CH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]CH)2(CH3)2{1|B<3>,2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.4360	0.000	1	107.4360	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]ClH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	107.6510	0.000	1	107.6510	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)(C[6]O[6]HH)(CH3)2{2|C<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	111.1405	0.298	2	111.1405	0.089	2	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<3>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	116.6230	0.000	1	110.3765	5.314	10	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.6597	0.495	3	110.3765	5.314	10	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.5570	0.000	1	110.3765	5.314	10	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|P<4>,2|H<1>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.8842	0.388	4	110.3765	5.314	10	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CH3)2{1|Re<6>,1|H<1>,2|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	108.0690	0.000	1	110.3765	5.314	10	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.7800	0.066	2	110.4343	0.240	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HH)(CH3)2{1|P<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.0885	0.487	2	110.4343	0.240	4	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)(C[6]O[6]HO)(CH3)2{1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.5130	0.000	1	110.5130	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]CH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]CH)2(CH3)2{1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	111.2420	0.000	1	111.2420	0.000	1	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.0719	0.465	18	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|B<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	109.8460	0.059	2	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|C<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.5552	0.570	49	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<3>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.1810	0.000	1	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<4>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.4282	0.819	94	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CH3)2	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CH3)2{1|P<5>}	C(C[6]C[6]2C)(H)3	C(C[6]C[6]2C)(H)3	110.9942	1.262	49	110.5509	0.823	213	109.3421	1.272	1060	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:I-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3)	C(C[6]C[6]2C)(H)2(I)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHI)(CH3){1|C<4>,4|C<3>}	C(C[6]C[6]2C)(H)2(I)	C(C[6]C[6]2C)(H)3	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]CH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.4794	0.836	34	109.4794	0.699	34	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.8695	0.497	4	109.2396	0.301	54	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.1298	0.295	6	109.2396	0.301	54	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|H<1>,1|O<2>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.0461	0.277	7	109.2396	0.301	54	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.3651	0.507	9	109.2396	0.301	54	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.3240	0.639	28	109.2396	0.301	54	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HH)(N[6]C[6]HO)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	109.3881	0.658	31	109.3881	0.433	31	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]HS)(N[6]C[6]HH)(CH3)2{1|C<4>,4|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.5010	0.000	1	110.5010	0.000	1	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]O[6]HH)(N[6]C[6]HH)(CH3)2{1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	111.5670	0.000	1	111.5670	0.000	1	109.3747	0.495	121	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:P[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](C[6]C[6,6]HH)(P[6]C[6]IrC)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	108.4670	0.000	1	108.4670	0.000	1	108.4508	2.245	5	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:P[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]IrH)(P[6]C[6]IrC)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](C[6]C[6,6]IrH)(P[6]C[6]IrC)(CH3)2{2|C<4>,2|H<1>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	108.4468	1.730	4	108.4468	2.994	4	108.4508	2.245	5	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:S[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	C[6](C[6]C[6]HH)(S[6]N[6]OO)(CH3)2{1|C<3>,2|H<1>}	C(C[6]C[6]S[6]C)(H)3	C(C[6]C[6]S[6]C)(H)3	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[6]-4:Si[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]Si[6]HH)(Si[6]C[6]CC)(CH3)2	C(C[6]Si[6]C[6]C)(H)3	C(C[6]Si[6]C[6]C)(H)3	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	C(C[6]Si[6]C[6]C)(H)3	107.2850	0.000	1	107.2850	0.000	1	107.2850	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2	C(C[6]N[3,6]C[6]C)(H)3	C(C[6]N[3,6]C[6]C)(H)3	C[6](N[3,6]C[3]2C[6])(C[6]C[6]HH)(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[6]N[3,6]C[6]C)(H)3	C(C[6]N[3,6]C[6]C)(H)3	108.9365	0.483	4	108.9365	0.233	4	108.9365	0.233	4	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	C[6](N[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CH3)2{1|O<2>,3|C<4>,4|H<1>}	C(C[6]N[5,6]C[6]C)(H)3	C(C[6]N[5,6]C[6]C)(H)3	110.3325	0.432	2	110.3325	0.187	2	110.3325	0.187	2	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(H)3	C[6](N[6,6]C[3x6]C[6]Cu)(C[6]C[6]HH)(CH3)2{1|N<4>,3|C<4>,4|H<1>}	C(C[6]N[6,6]C[6]C)(H)3	C(C[6]N[6,6]C[6]C)(H)3	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]AlLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.9257	0.461	20	107.9257	0.213	20	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]Cu2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	106.1578	0.733	5	106.1578	0.538	5	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]CuH)(C[6]C[6]HH)(CH3)2{1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.7575	0.477	2	107.7575	0.228	2	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]CuLi)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	106.9078	0.301	18	106.9078	0.091	18	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.2490	0.956	24	108.2490	0.913	24	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.6192	0.172	4	107.6192	0.030	4	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]LiZn)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	106.2826	0.195	10	106.2826	0.038	10	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]Mg2)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.5910	0.079	2	107.5910	0.006	2	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]NiO)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.1350	0.659	20	108.1350	0.434	20	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]SiH)(C[6]C[6]HH)(CH3)2{2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	110.2865	0.754	2	110.2865	0.569	2	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6]SmO)(C[6]C[6]HH)(CH3)2{1|C<5>,2|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	107.1110	0.000	1	107.1110	0.000	1	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	C[6](N[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6]N[6]C)(H)3	C(C[6]C[6]N[6]C)(H)3	108.2239	0.725	19	108.2239	0.526	19	107.7343	0.967	127	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6,6a]PtC)(C[6]C[6,6a]HH)(CH3)2{3|C<3>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	109.4150	0.000	1	109.4150	0.000	1	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6]PdC)(C[6]C[6]HH)(CH3)2{1|O<1>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	108.3582	0.553	8	108.3582	0.306	8	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pd)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	106.6975	1.244	2	106.6975	1.547	2	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]HH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	109.6790	1.489	3	109.6790	2.218	3	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]PtH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]C[6]Pt)(C[6]C[6]PtH)(CH3)2{1|O<1>,2|C<3>,3|C<4>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	109.7660	0.000	1	109.7660	0.000	1	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	P[6]-4:C[6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	C[6](P[6]C[6a]P[6]S)(C[6]C[6]HH)(CH3)2{1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[6]C[6]P[6]C)(H)3	C(C[6]C[6]P[6]C)(H)3	108.4180	0.288	2	108.4180	0.083	2	108.5479	1.341	17	108.6736	1.748	1988	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3)	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	C(C[6]C[5,5,6]C[6]C)(H)3	C[6](C[5,5,6]C[5,5,6]C[5]O[5])(C[6]C[6]CO)(CHHO)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,5,6]C[6]C)(OC)(H)2	C(C[6]C[5,5,6]C[6]C)(H)3	106.6317	0.332	3	106.6317	0.110	3	106.6317	0.110	3	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(H)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[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	105.7930	0.000	1	105.7930	0.000	1	105.6908	2.227	4	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	106.7050	0.273	2	106.7050	0.074	2	105.6908	2.227	4	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3)	C(C[6]C[5,6]C[6]C)(OC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CO)(CHHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(OC)(H)2	C(C[6]C[5,6]C[6]C)(H)3	103.5600	0.000	1	103.5600	0.000	1	105.6908	2.227	4	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CN)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CN)(H)2	C(C[6]C[6,6]C[6]C)(H)3	106.8630	0.000	1	106.8630	0.000	1	106.8630	0.000	1	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.8964	0.435	5	108.0627	0.317	6	108.0627	0.317	6	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.8940	0.000	1	108.0627	0.317	6	108.0627	0.317	6	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5a,6]N[6,6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.6135	0.157	6	107.6135	0.025	6	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.1105	0.569	2	105.1105	0.324	2	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.5600	0.000	1	105.5600	0.000	1	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.4185	0.477	2	106.7612	5.944	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.6563	2.683	3	106.7612	5.944	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.6170	0.000	1	106.3921	3.345	15	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.0355	1.491	4	106.3921	3.345	15	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.9040	0.000	1	106.3921	3.345	15	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.8021	1.987	9	106.3921	3.345	15	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.1410	0.000	1	106.2476	3.556	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.4120	0.000	1	106.2476	3.556	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	104.6895	0.462	2	106.2476	3.556	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OC)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.3060	0.000	1	106.2476	3.556	5	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	104.5108	1.059	4	107.3242	4.796	16	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.2620	1.548	12	107.3242	4.796	16	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3)	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(OSi)(H)2	C(C[6]C[6,6]C[6]C)(H)3	104.9355	0.743	2	104.9355	0.552	2	106.7201	3.609	52	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<2>,3|C<4>}	C(C[6]C[6]2C)(NC)(H)2	C(C[6]C[6]2C)(H)3	108.3353	0.263	3	108.3353	0.069	3	108.3353	0.069	3	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]2C)(OS)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CHHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(OS)(H)2	C(C[6]C[6]2C)(H)3	104.9295	0.125	2	104.9295	0.016	2	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	104.5180	0.000	1	104.5180	0.000	1	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3)	C(C[6]C[6]2C)(OSi)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CHHO)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(OSi)(H)2	C(C[6]C[6]2C)(H)3	107.4650	0.000	1	107.4650	0.000	1	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	107.2390	0.000	1	107.2390	0.000	1	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CHHO)(CH3)	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CHHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(H)3	107.5115	0.535	2	107.5115	0.287	2	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)(CH3)	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CHHO)(CH3){1|C<4>}	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(H)3	107.1680	0.000	1	107.1680	0.000	1	106.4090	1.867	8	106.8003	3.012	77	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CHHO)2{1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(OH)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	106.2290	0.000	1	106.2290	0.000	1	106.2290	0.000	1	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CHHO)2{1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	109.0540	0.000	1	109.0540	0.000	1	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CHHO)2{2|H<1>,3|C<4>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	107.1925	2.249	2	107.1925	5.059	2	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|S<4>,2|C<3>}	C(C[6]C[6]2C)(OC)(H)2	C(C[6]C[6]2C)(OC)(H)2	111.8315	0.077	2	111.8315	0.006	2	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHO)2	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)2(CHHO)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	108.9640	0.000	1	108.9640	0.000	1	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|C<4>}	C(C[6]C[6]2C)(OH)(H)2	C(C[6]C[6]2C)(OH)(H)2	110.6568	0.689	6	110.6568	0.475	6	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHO)2	C(C[6]C[6]2C)(OP[6])(H)2	C(C[6]C[6]2C)(OP[6])(H)2	C[6](C[6]O[6]HH)2(CHHO)2{1|P<4>}	C(C[6]C[6]2C)(OP[6])(H)2	C(C[6]C[6]2C)(OP[6])(H)2	114.5655	0.421	2	114.5655	0.177	2	110.6527	5.413	14	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:S-2:H-1:H-1:	C[6]-4:S-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHS)2	C(C[6]C[6]2C)(SC)(H)2	C(C[6]C[6]2C)(SC)(H)2	C[6](C[6]O[6]HH)2(CHHS)2{1|C<4>}	C(C[6]C[6]2C)(SC)(H)2	C(C[6]C[6]2C)(SC)(H)2	112.8720	0.000	1	112.8720	0.000	1	112.8720	0.000	1	110.5149	6.304	16	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,5,6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	C[6](C[5,5,6,6]C[3x5,6,6]C[5,6]C[5])(C[6]C[6]CH)(CCHH)(CH3){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C(C[6]C[5,5,6,6]C[6]C)(CC[6]H)(H)2	C(C[6]C[5,5,6,6]C[6]C)(H)3	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3)	C(C[6]C[5,6]2C)(COO)(H)2	C(C[6]C[5,6]2C)(H)3	C[6](C[5,6]C[5,6]C[5]O)2(CCHH)(CH3){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C(C[6]C[5,6]2C)(COO)(H)2	C(C[6]C[5,6]2C)(H)3	106.0180	0.000	1	106.0180	0.000	1	106.0180	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6,6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3)	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C(C[6]C[5,6]C[6,6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C(C[6]C[5,6]C[6,6]C)(COO)(H)2	C(C[6]C[5,6]C[6,6]C)(H)3	105.2110	0.000	1	105.2110	0.000	1	105.2110	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCO)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[6]C[5,6]C[6]C)(CCO)(H)2	C(C[6]C[5,6]C[6]C)(H)3	108.2910	0.000	1	108.2910	0.000	1	109.6867	1.771	3	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	110.3845	0.787	2	110.3845	0.619	2	109.6867	1.771	3	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]O)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.3480	0.000	1	105.3480	0.000	1	108.0640	6.168	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	112.1360	0.000	1	112.1360	0.000	1	108.0640	6.168	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.4830	0.003	2	107.4830	0.000	2	108.0640	6.168	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(COO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CC)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(COO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.8700	0.000	1	107.8700	0.000	1	108.0640	6.168	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[6]C[6]2)(H)2	C(C[6]C[6,6]C[6]C)(H)3	104.5940	0.303	3	104.5940	0.092	3	104.5940	0.092	3	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CC[6a]HH)(CH3)	C(C[6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(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(C[6]C[6,6]C[6]C)(H)3	105.5195	0.533	4	105.5195	0.284	4	105.5195	0.284	4	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.8045	0.350	2	106.3872	7.870	4	107.6085	6.071	8	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	103.9700	0.339	2	106.3872	7.870	4	107.6085	6.071	8	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NC[6a]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.9480	2.588	2	108.9480	6.698	2	107.6085	6.071	8	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NHP)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NHP)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.7115	0.446	2	108.7115	0.199	2	107.6085	6.071	8	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[5a]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3)	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CN[5a]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(N[5a]C[5a]2)(H)2	C(C[6]C[6,6]C[6]C)(H)3	110.4710	0.000	1	110.4710	0.000	1	110.4710	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(CCH)(H)2	C(C[6]C[6]2C)(H)3	109.9890	0.000	1	109.9890	0.000	1	110.1104	0.253	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6]O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(CC[6]O)(H)2	C(C[6]C[6]2C)(H)3	110.2860	0.000	2	110.2860	0.000	2	110.1104	0.253	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CHN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6a]C[6]H)(C[6]S[6]HH)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[6]C[6]2C)(CHN)(H)2	C(C[6]C[6]2C)(H)3	109.9955	0.952	2	109.9955	0.907	2	110.1104	0.253	5	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6]2C)(NOO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	C(C[6]C[6]2C)(H)3	110.0410	0.000	1	110.0410	0.000	1	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6]2C)(NOO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5a,6]HH)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,1|N<3>,2|H<1>}	C(C[6]C[6]2C)(NOO)(H)2	C(C[6]C[6]2C)(H)3	110.2460	0.000	1	110.2460	0.000	1	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3)	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]N[6]HH)(CHHN)(CH3){1|C<4>,1|S<4>,2|H<1>}	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(H)3	109.8570	0.000	1	109.8570	0.000	1	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NCH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2C)(NCH)(H)2	C(C[6]C[6]2C)(H)3	108.4833	0.035	3	108.3915	0.035	4	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NCH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]2C)(NCH)(H)2	C(C[6]C[6]2C)(H)3	108.1160	0.000	1	108.3915	0.035	4	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NHN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]2C)(NHN)(H)2	C(C[6]C[6]2C)(H)3	107.8210	0.000	1	107.8210	0.000	1	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<3>,3|C<4>}	C(C[6]C[6]2C)(NHS)(H)2	C(C[6]C[6]2C)(H)3	108.4450	0.518	3	108.4450	0.268	3	108.8060	0.739	11	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N[5]-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3)	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CN[5]HH)(CH3){2|C<3>}	C(C[6]C[6]2C)(N[5]C[5]2)(H)2	C(C[6]C[6]2C)(H)3	111.5600	0.000	1	111.5600	0.000	1	111.5600	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:P-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]P[6]HH)2(CHHP)(CH3)	C(C[6]C[6]2C)(PC[6a]2)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	C(C[6]C[6]2C)(PC[6a]2)(H)2	C(C[6]C[6]2C)(H)3	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Se-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3)	C(C[6]C[6]2C)(SeFe2)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]FeH)(C[6]O[6]HH)(CSeHH)(CH3){1|Fe<5>,1|C<4>}	C(C[6]C[6]2C)(SeFe2)(H)2	C(C[6]C[6]2C)(H)3	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:1:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]N[6]C)(CCH)(H)2	C(C[6]C[6]N[6]C)(H)3	C[6](C[6]C[6]CH)(N[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[6]C[6]N[6]C)(CCH)(H)2	C(C[6]C[6]N[6]C)(H)3	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	108.2169	4.993	47	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO)	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[6]HH)(C[6]O[6]HH)(CCHH)(CHHO){1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CCC)(H)2	C(C[6]C[6]2C)(OC)(H)2	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	111.7840	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(COO)(H)2	111.0820	0.000	1	111.0820	0.000	1	111.0820	0.000	1	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C(C[6]C[6]2C)(CNO)(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CNO)(H)2	C(C[6]C[6]2C)(NCH)(H)2	110.0459	1.596	12	110.0459	2.546	12	110.3584	1.812	19	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NCH)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NCH)(H)2	111.0145	0.404	6	111.0145	0.164	6	110.3584	1.812	19	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NHS)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NHS)(H)2	110.1710	0.000	1	110.1710	0.000	1	110.3584	1.812	19	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:H-1:H-1:	C[6]-4:C-3:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(COO)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(NC[6a]H)(H)2	C(C[6]C[6]2C)(COO)(H)2	109.8200	0.000	1	109.8200	0.000	1	109.8200	0.000	1	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:S-3:H-1:H-1:	C[6]-4:S-3:H-1:H-1:	C[6](C[6]O[6]HH)2(CHHS)2	C(C[6]C[6]2C)(SFe2)(H)2	C(C[6]C[6]2C)(SFe2)(H)2	C[6](C[6]O[6]HH)2(CHHS)2{1|C<4>}	C(C[6]C[6]2C)(SFe2)(H)2	C(C[6]C[6]2C)(SFe2)(H)2	114.7545	0.047	2	114.7545	0.002	2	114.7545	0.002	2	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:Se-3:H-1:H-1:	C[6]-4:Se-3:H-1:H-1:	C[6](C[6]O[6]HH)2(CSeHH)2	C(C[6]C[6]2C)(SeFe2)(H)2	C(C[6]C[6]2C)(SeFe2)(H)2	C[6](C[6]O[6]HH)2(CSeHH)2{1|C<4>}	C(C[6]C[6]2C)(SeFe2)(H)2	C(C[6]C[6]2C)(SeFe2)(H)2	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	110.8125	3.079	24	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:H-1:H-1:	C[6]-4:N-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CHHN)	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NH3)(H)2	C[6](C[6]C[6]HH)2(CCHH)(CHHN){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(COO)(H)2	C(C[6]C[6]2C)(NH3)(H)2	110.9330	1.766	20	110.9330	3.118	20	110.9330	3.118	20	110.9330	3.118	20	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6]C[6]C)(COO)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	109.7890	0.000	1	109.7890	0.000	1	109.7890	0.000	1	109.5145	0.790	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[5a]-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3)	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]HH)(CC[5a]HO)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(C[5a]C[5a]2)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	110.0075	0.469	2	110.0075	0.220	2	110.0075	0.220	2	109.5145	0.790	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CCHO)(CH3)	C(C[6]C[6]2C)(CNO)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CCHO)(CH3){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(CNO)(OC)(H)	C(C[6]C[6]2C)(H)3	108.2540	0.000	1	108.2540	0.000	1	108.2540	0.000	1	109.5145	0.790	4	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-3:N-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CCHN)(CH3)	C(C[6]C[6]2C)(CNO)(NCC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(CNO)(NCC)(H)	C(C[6]C[6]2C)(H)3	109.8337	2.673	4	109.8337	7.147	4	109.8337	7.147	4	110.9328	11.400	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:3:3:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-3:C-3:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]FH)2(CCHN)(CH3)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]FH)2(CCHN)(CH3){1|C<4>,2|F<1>,2|H<1>}	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	C(C[6]C[6]2C)(H)3	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	110.9328	11.400	5	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]CH)(CCHH)(CH3){2|C<4>,2|H<1>}	C(C[6]C[3,6]C[6]C)(CCHH)(H)2	C(C[6]C[3,6]C[6]C)(H)3	106.2320	0.000	1	106.2320	0.000	1	109.5340	21.806	2	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3)	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C(C[6]C[3,6]C[6]C)(H)3	C[6](C[3,6]C[6,6a]C[3]N[3])(C[6]N[6]HH)(CCHH)(CH3){1|S<4>,3|C<3>}	C(C[6]C[3,6]C[6]C)(CF3)(H)2	C(C[6]C[3,6]C[6]C)(H)3	112.8360	0.000	1	112.8360	0.000	1	109.5340	21.806	2	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	105.1180	0.000	1	105.1180	0.000	1	106.7088	4.251	5	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CC[5]HO)(H)2	C(C[6]C[5,6]C[6]C)(H)3	105.2950	0.025	2	105.2950	0.001	2	106.7088	4.251	5	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(CCHH)(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	109.5160	0.000	1	109.5160	0.000	1	106.7088	4.251	5	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(H)3	108.3200	0.000	1	108.3200	0.000	1	106.7088	4.251	5	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	106.4760	0.000	1	106.4760	0.000	1	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	106.9160	0.000	1	106.9160	0.000	1	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.8715	0.285	2	105.8715	0.081	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	112.4710	0.021	2	112.4710	0.000	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.0720	0.000	2	108.3780	5.897	6	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	109.0310	2.850	4	108.3780	5.897	6	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	106.5410	0.000	1	105.8086	1.890	17	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.9680	1.576	7	105.8086	1.890	17	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.2210	0.000	1	105.8086	1.890	17	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.6510	1.418	8	105.8086	1.890	17	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.0680	0.000	1	105.3230	0.130	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(CC[5]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.5780	0.000	1	105.3230	0.130	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[5a]HO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	104.0585	0.008	2	104.0585	0.000	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6]HH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.9305	0.129	2	108.9305	0.017	2	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CCHH)(CH3){1|B<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C(C[6]C[6,6]C[6]C)(H)3	109.7620	0.000	1	109.7620	0.000	1	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.3730	0.000	1	107.9663	2.149	6	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){3|C<4>,5|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.5300	0.000	1	107.9663	2.149	6	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	107.7237	1.828	4	107.9663	2.149	6	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){4|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CHHO)(H)2	C(C[6]C[6,6]C[6]C)(H)3	105.7140	1.344	3	105.7140	1.807	3	106.8982	5.014	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NCCH)(H)2	C(C[6]C[6,6]C[6]C)(H)3	110.1040	0.000	1	110.1040	0.000	1	109.3327	0.455	3	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3)	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(CHHN)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(NH3)(H)2	C(C[6]C[6,6]C[6]C)(H)3	108.9470	0.130	2	108.9470	0.017	2	109.3327	0.455	3	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:As-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]As[6]HH)2(CAsHH)(CH3)	C(C[6]C[6]2C)(AsGaCC)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]As[6]HH)2(CAsHH)(CH3){1|Ga<4>,4|C<4>}	C(C[6]C[6]2C)(AsGaCC)(H)2	C(C[6]C[6]2C)(H)3	105.2670	0.000	1	105.2670	0.000	1	105.2670	0.000	1	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]HH)(C[6]C[5,6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	109.8030	0.390	3	109.8030	0.152	3	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	110.7710	0.000	1	110.7710	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHO)(H)2	C(C[6]C[6]2C)(H)3	109.6910	0.000	1	109.6910	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[3]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HO)(C[6]C[6]CC)(CCHH)(CH3){1|O<1>,2|C<3>}	C(C[6]C[6]2C)(CC[3]HH)(H)2	C(C[6]C[6]2C)(H)3	109.1700	0.000	1	109.1700	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2C)(H)3	109.8457	4.388	3	109.8457	19.253	3	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CCHH)(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	107.0310	0.000	2	107.0310	0.000	2	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	109.8190	0.000	1	109.8190	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHO)(H)2	C(C[6]C[6]2C)(H)3	109.0070	1.312	2	109.0070	1.722	2	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	110.4110	0.000	1	110.2920	0.039	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(H)2	C(C[6]C[6]2C)(H)3	110.2622	0.216	4	110.2920	0.039	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[3]O[6]H)(CCHH)(CH3){1|H<1>,2|C<4>,4|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	106.1820	0.000	1	106.1820	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6a]HO)(C[6]C[6]CH)(CCHH)(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	110.1383	0.923	3	110.1383	0.852	3	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CC)(C[6]C[6]CH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	107.4790	0.000	1	107.4790	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[3,6]HH)(H)2	C(C[6]C[6]2C)(H)3	106.0510	0.000	1	106.0510	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(H)3	110.5905	0.353	2	110.7467	0.135	3	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(H)2	C(C[6]C[6]2C)(H)3	111.0590	0.000	1	110.7467	0.135	3	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3)	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(H)2	C(C[6]C[6]2C)(H)3	103.7610	0.000	1	103.7610	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<2>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	109.2210	0.000	1	109.2210	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	104.8845	0.766	2	106.2540	4.467	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<4>,1|N<2>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	107.1270	0.000	1	106.2540	4.467	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	109.5350	0.000	1	106.2540	4.467	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){2|H<1>,3|C<4>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	104.8390	0.000	1	106.2540	4.467	5	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)2(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(H)2	C(C[6]C[6]2C)(H)3	105.7720	0.375	2	105.7720	0.140	2	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	110.0130	0.000	1	110.0130	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3)	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)(C[6]O[6]CH)(CCHH)(CH3){1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	107.0950	0.000	1	107.0950	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(H)3	109.2200	0.000	1	109.2200	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CCHN)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CCHN)(H)2	C(C[6]C[6]2C)(H)3	112.0500	0.000	1	112.0500	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|N<3>,2|O<1>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	110.9810	0.000	1	110.9810	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)(CH3)	C(C[6]C[6]2C)(CHSS)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CCHH)(CH3){1|O<2>,4|H<1>}	C(C[6]C[6]2C)(CHSS)(H)2	C(C[6]C[6]2C)(H)3	110.5970	0.000	1	110.5970	0.000	1	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3)	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HO)(C[6]O[6]HO)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(H)3	110.9695	0.173	2	110.9695	0.030	2	108.9331	5.256	45	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CH3){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(H)3	110.8980	0.448	2	110.8980	0.201	2	110.8980	0.201	2	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NH3)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]HH)2(CHHN)(CH3){1|H<1>,1|N<4>,3|C<4>}	C(C[6]C[6]2C)(NH3)(H)2	C(C[6]C[6]2C)(H)3	108.4250	0.000	1	108.4250	0.000	1	107.7200	0.994	2	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]N[6]HH)2(CHHN)(CH3)	C(C[6]C[6]2C)(NCHH)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]N[6]HH)2(CHHN)(CH3){3|C<4>}	C(C[6]C[6]2C)(NCHH)(H)2	C(C[6]C[6]2C)(H)3	107.0150	0.000	1	107.0150	0.000	1	107.7200	0.994	2	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:P-4:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]P[6]HH)2(CHHP)(CH3)	C(C[6]C[6]2C)(PC[6a]2O)(H)2	C(C[6]C[6]2C)(H)3	C[6](C[6]P[6]HH)2(CHHP)(CH3){1|B<4>,4|C<3>}	C(C[6]C[6]2C)(PC[6a]2O)(H)2	C(C[6]C[6]2C)(H)3	106.9020	0.000	1	106.9020	0.000	1	106.9020	0.000	1	107.9474	6.003	106	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO)	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]N[6]HH)(CCHH)(CHHO){1|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6,6]C[6]C)(CH3)(H)2	C(C[6]C[6,6]C[6]C)(OH)(H)2	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	109.9653	1.452	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO)	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]HO)(CCHH)(CHHO){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(OH)(H)2	111.4220	0.000	1	111.4220	0.000	1	110.5118	0.850	5	109.9653	1.452	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]O[6]HH)2(CCHH)(CHHO)	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]O[6]HH)2(CCHH)(CHHO){1|B<3>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(OC)(H)2	110.2843	0.888	4	110.2843	0.789	4	110.5118	0.850	5	109.9653	1.452	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:2:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:H-1:H-1:	C[6]-4:O-2:H-1:H-1:	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO)	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(H)2	C[6](C[6]C[5,6]C[6]H)(C[6]C[6]HH)(CC[6]HH)(CHHO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]C[6]O[6]H)(C[6]C[6]2C)(H)2	C(C[6]C[6]2C)(OC)(H)2	108.8040	0.000	1	108.8040	0.000	1	108.8040	0.000	1	109.9653	1.452	7	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:3:1:1:	C[6]-4:N[6]-4:C-4:C-4:	C[6]-4:N-4:H-1:H-1:	C[6]-4:N-3:H-1:H-1:	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C(C[6]C[6]N[6]C)(NCuC)(H)2	C[6](C[6]N[6]HH)(N[6]C[6]HH)(CHHN)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]N[6]C)(NCuCH)(H)2	C(C[6]C[6]N[6]C)(NCuC)(H)2	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	114.8920	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{3|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	106.4270	0.000	1	107.6760	3.120	2	110.5182	7.645	5	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]HH)(CCHH)2{4|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	108.9250	0.000	1	107.6760	3.120	2	110.5182	7.645	5	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	C[6](C[5,6]N[5,6]C[5]O)(C[6]C[6]HH)(CCHH)2{1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C(C[6]C[5,6]C[6]C)(CH3)(H)2	112.4130	0.516	3	112.4130	0.266	3	110.5182	7.645	5	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C(C[6]C[6]2C)(CHHS)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CHHS)(H)2	C(C[6]C[6]2C)(CHHS)(H)2	111.0700	0.000	1	111.0700	0.000	1	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]C[6]HH)2(CCHH)2	C(C[6]C[6]2C)(CSeHH)(H)2	C(C[6]C[6]2C)(CSeHH)(H)2	C[6](C[6]C[6]HH)2(CCHH)2{1|C<4>,4|H<1>}	C(C[6]C[6]2C)(CSeHH)(H)2	C(C[6]C[6]2C)(CSeHH)(H)2	110.9690	0.000	1	110.9690	0.000	1	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	112.2360	0.000	1	112.6099	0.214	10	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	111.9650	0.000	1	112.6099	0.214	10	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]N[6,6]HH)(C[6]N[6]HH)(CCHH)2{1|Mo<5>,1|C<3>,1|C<4>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	112.7373	0.421	8	112.6099	0.214	10	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]N[6]HH)2(CCHH)2	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	C[6](C[6]N[6]HH)2(CCHH)2{1|C<3>,2|H<1>}	C(C[6]C[6]2C)(CCHH)(H)2	C(C[6]C[6]2C)(CCHH)(H)2	112.7609	0.635	14	112.7609	0.403	14	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:H-1:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[6]O[6]HH)2(CCHH)2	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	C[6](C[6]O[6]HH)2(CCHH)2{1|P<4>}	C(C[6]C[6]2C)(CH3)(H)2	C(C[6]C[6]2C)(CH3)(H)2	113.1810	0.000	1	113.1810	0.000	1	112.5916	0.495	27	112.2676	1.987	32	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(CCHH)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	109.1866	0.597	7	109.1866	0.356	7	108.5677	1.449	12	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[6]C[5,6]C[6]C)(CCHH)(OH)(H)	C(C[6]C[5,6]C[6]C)(H)3	108.2985	0.279	4	108.2985	0.078	4	108.5677	1.449	12	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HO)(CCHO)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5,6]C[6]C)(CC[6]HO)(OC)(H)	C(C[6]C[5,6]C[6]C)(H)3	105.3130	0.000	1	105.3130	0.000	1	108.5677	1.449	12	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[6]C[6,6]C[6]C)(CCHH)(OC)(H)	C(C[6]C[6,6]C[6]C)(H)3	105.8320	0.000	1	105.8320	0.000	1	106.1703	0.174	3	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CCHH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	106.6360	0.000	1	106.6360	0.000	1	106.1703	0.174	3	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3)	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(CCHO)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6]C[6]C)(CC[4]HH)(OH)(H)	C(C[6]C[6,6]C[6]C)(H)3	106.0430	0.000	1	106.0430	0.000	1	106.1703	0.174	3	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[5]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]CH)(C[6]C[6]HH)(CC[5]HO)(CH3){2|C<4>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C(C[6]C[6]2C)(H)3	107.3174	0.550	5	107.3174	0.303	5	107.3174	0.303	5	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[4,6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[5]HO)(OC)(H)	C(C[6]C[6]2C)(H)3	105.5220	0.000	1	105.5220	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){2|C<4>,3|H<1>}	C(C[6]C[6]2C)(CClHH)(OH)(H)	C(C[6]C[6]2C)(H)3	110.2010	0.000	1	110.2010	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CHHO)(OH)(H)	C(C[6]C[6]2C)(H)3	110.7410	0.000	1	110.7410	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3)	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HH)(CCHO)(CH3){1|C<3>,4|H<1>}	C(C[6]C[6]2C)(CCHH)(OC)(H)	C(C[6]C[6]2C)(H)3	110.3400	0.000	1	110.3400	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HH)(OC)(H)	C(C[6]C[6]2C)(H)3	110.5820	0.000	1	110.5820	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3)	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[6]CH)(C[6]C[6]HO)(CCHO)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[6]2C)(CC[6]HO)(OC)(H)	C(C[6]C[6]2C)(H)3	105.5370	0.000	1	105.5370	0.000	1	108.8205	6.533	6	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:O-2:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3)	C(C[6]C[6]2C)2(OH)(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5]C[6]H)(C[6]C[6]HO)(CC[6]HO)(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[6]C[6]2C)2(OH)(H)	C(C[6]C[6]2C)(H)3	112.1100	0.000	1	112.1100	0.000	1	112.1100	0.000	1	108.2572	3.290	27	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[5,6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6]-4:C-4:H-1:H-1:	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO)	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]HH)(CCHH)(CCHO){3|C<4>,4|H<1>}	C(C[6]C[5,6]C[6]C)(CH3)(OC)(H)	C(C[6]C[5,6]C[6]C)(CCHH)(H)2	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3)	C(C[6]C[6]2C)(CH3)2(H)	C(C[6]C[6]2C)(H)3	C[6](C[6]C[5,6]HH)(C[6]C[6]HH)(CCCH)(CH3){2|C<3>,2|H<1>}	C(C[6]C[6]2C)(CH3)2(H)	C(C[6]C[6]2C)(H)3	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	111.4870	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	4:4:4:4:	4:4:4:4:	4:1:1:1:	C[6]-4:C[6]-4:C-4:C-4:	C[6]-4:C-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6]O[6]HH)2(CC3)(CH3)	C(C[6]C[6]2C)(CH3)3	C(C[6]C[6]2C)(H)3	C[6](C[6]O[6]HH)2(CC3)(CH3){1|S<4>}	C(C[6]C[6]2C)(CH3)3	C(C[6]C[6]2C)(H)3	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528
466	490	490	0:SP3_SP3_SP3	C[6]	C	C	6:4:4:4:	4:1:1:1:	4:1:1:1:	C[5x3,5x5,21x6]-6:C[4,6]-4:C-4:C-4:	C[6]-4:H-1:H-1:H-1:	C[6]-4:H-1:H-1:H-1:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2H)(CH3)2	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[4,6]C[4,6]2H)(CH3)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	C(C[6]C[5x3,5x5,21x6]C[4,6]C)(H)3	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	108.7450	0.000	1	109.3234	3.700	5474	109.3107	3.694	5528