466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCCN)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	O(C[6]C[6,6a]C[6]H)	112.1120	0.503	2	112.1120	0.253	2	112.3762	15.141	6	112.3762	15.141	6	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6]H)	119.9360	0.000	1	119.9360	0.000	1	112.3762	15.141	6	112.3762	15.141	6	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	O(C[6]C[6,6a]C[6]H)	109.0850	0.000	1	109.0850	0.000	1	112.3762	15.141	6	112.3762	15.141	6	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	O(C[6]C[6,6a]C[6]H)	110.9160	0.000	1	110.5060	0.336	2	112.3762	15.141	6	112.3762	15.141	6	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	O(C[6]C[6,6a]C[6]H)	110.0960	0.000	1	110.5060	0.336	2	112.3762	15.141	6	112.3762	15.141	6	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]O)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]C[6a])	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	111.8358	12.482	8	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6a]	O	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:O-1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]HO)(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2O){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	110.3220	0.000	1	107.9790	10.979	2	111.0644	13.573	10
466	643	863	0:SP3_SP2_SP2	C[6]	C[6a]	O	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:O-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O)	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5,6]O)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]C[6a])	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	105.6360	0.000	1	107.9790	10.979	2	111.0644	13.573	10
466	643	874	0:SP3_SP2_SP3	C[6]	C[6a]	B[6]	4:3:3:1:	4:3:3:	4:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){1|N<3>,1|O<2>,4|F<1>,7|C<3>}	121.5860	0.000	1	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2
466	643	874	0:SP3_SP2_SP3	C[6]	C[6a]	B[6]	4:3:3:1:	4:3:3:	4:3:3:2:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:O[6]-2:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	B[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)2(O[6]C[6]){2|O<2>,4|F<1>,7|C<3>}	117.4860	0.000	1	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2	119.5360	8.405	2
466	643	874	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	B[6,6]	3:3:4:1:	4:3:3:	4:3:4:4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:B[6,6]-3:N-4:N-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]N)(NCCH)2{1|H<1>,4|C<3>}	105.5715	0.651	2	105.5715	0.424	2	105.5715	0.424	2	105.5715	0.424	2	105.9957	0.973	6	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	B[6,6]	3:3:4:1:	4:3:3:	4:4:4:1:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:B[6,6]-4:N-4:Cl-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	B[6,6](C[3x6]C[6,6,6a]2H)(B[6,6]C[3x6]ClN)(NCCH)(Cl){1|H<1>,4|C<3>}	106.2078	1.140	4	106.2078	1.300	4	106.2078	1.300	4	106.2078	1.300	4	105.9957	0.973	6	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[3x6]	4:3:4:1:	3:4:3:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{1|N<3>,2|C<4>,3|C<3>,9|H<1>}	109.2848	0.709	4	109.3024	0.379	5	108.7132	2.386	6	108.2493	3.495	7	108.2493	3.495	7	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[3x6]	4:3:4:1:	3:4:3:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[3x6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	109.3730	0.000	1	109.3024	0.379	5	108.7132	2.386	6	108.2493	3.495	7	108.2493	3.495	7	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[3x6]	4:3:4:1:	3:4:3:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[3x6](N[6,6]C[6,6a]C[6,6])(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	105.7670	0.000	1	105.7670	0.000	1	108.7132	2.386	6	108.2493	3.495	7	108.2493	3.495	7	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[3x6]	4:3:4:1:	3:4:3:	3:4:4:4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	N[6,6a]-3:C[6]-4:C[6,6]-4:C[6,6]-4:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	B[3x6](N[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(C[6,6]C[6]2H)2{2|C<4>,5|C<3>,8|H<1>}	105.4660	0.000	1	105.4660	0.000	1	105.4660	0.000	1	108.2493	3.495	7	108.2493	3.495	7	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){2|H<1>,2|N<3>,3|C<3>}	B[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|N<3>,4|C<4>,7|C<3>}	110.7080	0.000	1	110.7080	0.000	1	112.0070	3.375	2	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	B[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|S<2>,4|C<4>,8|C<3>}	113.3060	0.000	1	113.3060	0.000	1	112.0070	3.375	2	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	110.3090	0.000	1	110.6543	0.286	3	110.8173	0.297	4	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{2|F<1>,3|H<1>,8|C<3>}	111.2700	0.000	1	110.6543	0.286	3	110.8173	0.297	4	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	110.3840	0.000	1	110.6543	0.286	3	110.8173	0.297	4	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:1:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]2)2{1|H<1>,4|C<4>,8|C<3>}	111.3060	0.000	1	111.3060	0.000	1	110.8173	0.297	4	111.2138	1.230	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:1:	3:3:4:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:Br-1:Br-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(Br)2{1|H<1>,4|C<3>}	108.0440	0.000	1	108.0440	0.000	1	108.0440	0.000	1	108.6430	0.778	3	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:1:	3:3:4:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:F-1:F-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(F)2{1|H<1>,4|C<3>}	109.6560	0.000	1	109.6560	0.000	1	109.6560	0.000	1	108.6430	0.778	3	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:1:	3:3:4:	3:4:1:1:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:I-1:I-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(I)2{1|H<1>,4|C<3>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.6430	0.778	3	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,1|N<3>,4|F<1>,7|C<3>}	103.5850	0.744	2	105.8747	6.975	6	105.8747	6.975	6	105.8747	6.975	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:1:	3:3:4:	3:4:3:3:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	N[6,6]-3:C[6]-4:C[6a]-3:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	B[6](N[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)2{1|H<1>,4|F<1>,8|C<3>}	107.0195	2.489	4	105.8747	6.975	6	105.8747	6.975	6	105.8747	6.975	6	108.7174	8.918	16	108.0413	6.869	29
466	643	874	6:SP3_SP2_SP3	C[6]	C[6,6a]	B[6]	3:4:4:4:	3:3:4:	3:4:3:1:	C[6,6a]-3:B[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:N-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[5,6]HN)(CH3)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC)	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H)	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[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CC){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	B[6](C[5,6]N[5,6]N[5])(C[6]C[6,6a]CC)(NCC)(H){5|C<3>}	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	108.7174	8.918	16	108.0413	6.869	29
466	643	880	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	Si	3:3:3:4:	3:4:3:	4:3:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl)	Si(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]Cl){1|Cl<1>,2|H<1>,5|C<3>}	Si(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	120.4180	0.000	1	120.4180	0.000	1	114.4177	27.008	3	114.4177	27.008	3	114.4177	27.008	3	111.5994	15.450	8
466	643	880	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	Si	3:3:3:4:	3:4:3:	4:3:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Si-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:H-1:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H)	Si(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SiC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Si)(C[6a]C[6a]H){3|H<1>,5|C<3>}	Si(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)(H)2	111.4175	0.097	2	111.4175	0.009	2	114.4177	27.008	3	114.4177	27.008	3	114.4177	27.008	3	111.5994	15.450	8
466	643	880	0:SP3_SP2_SP3	C[6]	C[6,6a]	Si	3:3:4:1:	3:4:3:	4:3:2:1:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	Si(C[6]C[6,6a]2H)(C[6a]C[6a]2)(OC)(H)	108.9540	1.971	2	108.9540	3.886	2	108.9540	3.886	2	108.9540	3.886	2	109.9084	4.002	5	111.5994	15.450	8
466	643	880	0:SP3_SP2_SP3	C[6]	C[6,6a]	Si	3:3:4:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H)	Si(C[6]C[6,6a]B[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	Si(C[6]C[6,6a]B[6]H)(CH3)3	109.1480	0.000	1	109.1480	0.000	1	109.1480	0.000	1	110.5447	4.543	3	109.9084	4.002	5	111.5994	15.450	8
466	643	880	0:SP3_SP2_SP3	C[6]	C[6,6a]	Si	3:3:4:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:C-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	Si(C[6]C[6,6a]2H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	Si(C[6]C[6,6a]2H)(CH3)3	111.2430	2.482	2	111.2430	6.160	2	111.2430	6.160	2	110.5447	4.543	3	109.9084	4.002	5	111.5994	15.450	8
466	643	892	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:3:3:4:	4:3:3:	4:4:1:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]N)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	106.6645	0.241	2	106.6645	0.058	2	106.6645	0.058	2	106.6645	0.058	2	109.0508	3.624	6	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(CH3)(H)2	109.8850	0.088	2	109.8850	0.008	2	110.2440	0.326	4	110.2440	0.326	4	109.0508	3.624	6	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6,6a]	N	3:4:4:1:	3:3:4:	4:4:1:1:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]CH)(H)2	110.6030	0.675	2	110.6030	0.455	2	110.2440	0.326	4	110.2440	0.326	4	109.0508	3.624	6	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:3:3:4:	4:3:3:	4:4:1:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:N-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH)	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(NCHH){5|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]2N)(C[6a]C[6a]O)2{2|H<1>,5|C<3>}	N(C[6]C[6,6a]2C[6a])(CCHH)(H)2	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	109.3268	0.749	12	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:4:	3:3:4:	4:1:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(H)3	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(H)3	109.3485	0.903	4	109.3485	0.815	4	109.3485	0.815	4	109.3485	0.815	4	109.3268	0.749	12	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)2	109.4930	0.233	2	109.4930	0.054	2	109.0267	0.184	7	109.0267	0.184	7	109.3268	0.749	12	109.2348	1.568	18
466	643	892	0:SP3_SP2_SP3	C[6]	C[6a]	N	3:4:3:4:	3:3:4:	4:4:1:1:	C[6a]-3:C[6]-4:C[6]-3:N-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:H-1:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CH3)(H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(NCHH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	N(C[6]C[6a]C[6]2)(CH3)(H)2	108.8402	0.332	5	108.8402	0.110	5	109.0267	0.184	7	109.0267	0.184	7	109.3268	0.749	12	109.2348	1.568	18
466	643	893	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	O	3:3:3:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	O(C[3x6]C[6,6,6a]3)(COS)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC){1|P<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[3x6]C[6,6,6a]3)(COS)	110.3087	3.571	6	110.3087	12.753	6	110.3087	12.753	6	111.6264	15.773	12	111.6264	15.773	12	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	O	3:3:3:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H)	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(OC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2O)(C[6a]C[6a]H){3|H<1>,5|C<3>}	O(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	112.9442	4.217	6	112.9442	17.779	6	112.9442	17.779	6	111.6264	15.773	12	111.6264	15.773	12	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	O	4:4:3:2:	4:3:3:	4:3:	C[3x6]-4:C[4x6]-4:C[6,6a]-3:O-2:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C-3:	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC)	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	C[3x6](C[3x6]C[6,6,6a]O[6,6]H)(C[4x6]C[4x6]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(OC){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[3x6]C[3x6]C[4x6]O)(C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	O(C[3x6]C[6,6a]C[3x6]C[4x6])(CCO)	111.6125	0.111	2	111.6125	0.012	2	111.6125	0.012	2	111.6125	0.012	2	111.6125	0.012	2	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[4x6]	C[6,6,6a]	O	3:4:4:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[4x6]-4:C[3x6]-4:O-2:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[4x6]-4:C-3:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H)	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4x6]C[3x6]O[6,6]C)(C[3x6]O[6,6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]C[4x6]O)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>,3|O<2>}	O(C[4x6]C[6,6,6a]C[3x6]C[4x6])(CCO)	115.2215	0.095	2	115.2215	0.009	2	115.2215	0.009	2	115.2215	0.009	2	115.2215	0.009	2	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	112.3790	0.000	1	112.3790	0.000	1	112.3790	0.000	1	108.6107	10.667	3	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6]H)(CC[5]O)	106.8550	0.000	1	106.8550	0.000	1	106.8550	0.000	1	108.6107	10.667	3	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:3:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)	106.5980	0.000	1	106.5980	0.000	1	106.5980	0.000	1	108.6107	10.667	3	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:2:4:	3:3:4:	4:3:	C[6,6a]-3:C[6]-3:O-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OC[6a])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OC){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(CC[5,5,6]O)	110.0790	0.000	1	110.0790	0.000	1	110.6050	0.553	2	110.6050	0.553	2	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)(CNO)	111.1310	0.000	1	111.1310	0.000	1	110.6050	0.553	2	110.6050	0.553	2	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	107.7370	0.000	1	107.7370	0.000	1	107.7370	0.000	1	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	109.5890	0.000	1	109.5890	0.000	1	109.5890	0.000	1	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	107.8770	0.000	1	108.8283	0.730	3	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	109.3040	0.321	2	108.8283	0.730	3	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	106.6620	0.000	1	106.6620	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	110.0650	0.000	1	110.0650	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,3|C<3>,6|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	106.0700	0.048	3	106.0700	0.002	3	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	108.0180	0.000	1	108.0180	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	104.6140	0.000	1	104.6140	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	107.2110	0.000	1	107.2110	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	104.9820	0.653	2	104.9820	0.427	2	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	105.9400	0.000	1	105.9400	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]O)	104.9930	0.158	2	104.9930	0.025	2	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[5]O)	106.6980	0.000	1	106.6980	0.000	1	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	108.8373	0.710	3	108.4910	0.816	4	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	107.4520	0.000	1	108.4910	0.816	4	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CCO)	109.9157	0.248	3	109.9157	0.061	3	107.3985	3.539	24	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CCO)	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	107.4539	3.357	27	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[3,6]H)(CCO)	108.5120	0.000	1	108.5120	0.000	1	107.6990	0.497	3	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6a]C[3,6]H)(CCO)	107.2540	0.000	1	107.2540	0.000	1	107.6990	0.497	3	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[3,6]H)(CC[6a]O)	107.3310	0.000	1	107.3310	0.000	1	107.6990	0.497	3	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6]H)(CCO)	106.9630	0.000	1	106.9630	0.000	1	105.8725	2.378	2	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CC[6a]O)	104.7820	0.000	1	104.7820	0.000	1	105.8725	2.378	2	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6,6]H)(CC[6a]O)	110.1790	0.000	1	110.1790	0.000	1	110.1790	0.000	1	107.5035	3.193	6	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]2)(CCO)	114.2160	0.000	1	113.0447	1.360	3	113.0447	1.360	3	113.0447	1.360	3	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6,6a]C[6]2)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6]O[6]C)(OC){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]2)(CCO)	112.4590	0.813	2	113.0447	1.360	3	113.0447	1.360	3	113.0447	1.360	3	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:3:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3x6]H)(CC[6a]O)	108.8950	0.000	1	108.8950	0.000	1	108.8950	0.000	1	107.8450	2.205	2	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:3:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(CCO)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6,6]H)(CCO)	106.7950	0.000	1	106.7950	0.000	1	106.7950	0.000	1	107.8450	2.205	2	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6,6a]	O	4:3:2:1:	4:3:3:	4:3:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]2)	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	113.3890	0.000	1	108.3115	6.261	45	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP2	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:3:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(CC[5,5,6]O)	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	110.5540	0.000	1	109.3187	10.497	62
466	643	893	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:H-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(H)	112.4865	4.219	2	112.4865	17.803	2	112.4865	17.803	2	112.4865	17.803	2	111.1409	7.871	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	111.6150	2.661	4	111.3386	7.612	8	111.3386	7.612	8	111.3386	7.612	8	111.1409	7.871	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:O-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(OC){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]O)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[3x6]C[6,6,6a]2C[5,6,6])(CCHH)	111.0623	3.237	4	111.3386	7.612	8	111.3386	7.612	8	111.3386	7.612	8	111.1409	7.871	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	O	3:4:3:2:	3:4:3:	4:4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(OC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	110.1090	0.000	1	111.1409	7.871	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	O	3:4:4:2:	3:4:3:	4:4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:O-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O)	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(OC){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2O)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	O(C[3x6]C[6,6,6a]C[6,6]2)(CH3)	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	111.1409	7.871	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:2:3:2:	3:3:4:	4:4:	C[6,6,6a]-3:O[6]-2:C[6]-3:O-2:	C[6,6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:C-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O)	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(O[6]C[6,6a])(C[6]C[6]H)(OC){1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]O[6]O){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[6]O[6])(CH3)	104.6320	0.362	2	104.6320	0.131	2	104.6320	0.131	2	104.6320	0.131	2	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	113.1750	0.000	1	113.1750	0.000	1	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[3,6]C[6a])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	113.9960	0.000	1	113.9960	0.000	1	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	110.5920	0.000	1	110.1358	0.470	5	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	110.5370	0.000	1	110.1358	0.470	5	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	109.3920	0.075	2	110.1358	0.470	5	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|O<1>,3|H<1>,4|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	110.7660	0.000	1	110.1358	0.470	5	111.1214	3.203	7	111.1214	3.203	7	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<3>,3|C<4>,7|H<1>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	108.9175	0.466	2	108.9570	0.113	3	108.9570	0.113	3	108.9570	0.113	3	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6,6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:H-1:	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6])	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	C[6,6](C[5,6]C[5,5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(OH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6a]N[5,6]C[6a])(C[6,6]C[5,6]C[6]O)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	O(C[6,6]C[6,6,6a]C[5,6]C[6])(H)	109.0360	0.000	1	108.9570	0.113	3	108.9570	0.113	3	108.9570	0.113	3	109.4987	7.841	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:2:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6]-3:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])(OC){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(CH3)	112.9150	0.402	2	112.9150	0.161	2	112.9150	0.161	2	112.9150	0.161	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:2:	C[6,6a]-3:N[6,6]-3:N[6]-3:O-2:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:O-2:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(OO){1|H<1>,2|O<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]N[6]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	O(C[6,6]C[6,6a]N[6,6]N[6])(OH)	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	112.2810	0.000	1	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CCHH)	109.9990	0.000	1	109.9990	0.000	1	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[3,6]O)(OC){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	109.1340	0.000	1	109.1340	0.000	1	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	112.8650	0.000	1	112.1856	0.465	5	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	111.6180	0.000	1	112.1856	0.465	5	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	111.8920	0.000	1	112.1856	0.465	5	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	112.9740	0.000	1	112.1856	0.465	5	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6])	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]O)(OC){1|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6,6a]C[6]O)(C[6,6a]C[6a]O[6]){1|O<1>,2|H<1>,6|C<3>}	O(C[6,6]C[6,6,6a]C[6,6a]C[6])(CH3)	111.5790	0.000	1	112.1856	0.465	5	111.4373	2.006	7	111.4373	2.006	7	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6a]2C[6,6])(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]O)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	O(C[6,6]C[6,6a]2C[6,6])(H)	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0980	0.000	1	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-3:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(C[6]O[6]HH)(OH){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	111.3130	0.000	1	111.3130	0.000	1	111.3130	0.000	1	109.5440	6.259	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6,6]C[6,6a]2C[6,6])(H)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(OH){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	O(C[6,6]C[6,6a]2C[6,6])(H)	107.7750	0.000	1	107.7750	0.000	1	107.7750	0.000	1	109.5440	6.259	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC)	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]2C[6,6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6a]C[6]2)(OC){4|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	O(C[6,6]C[6,6a]2C[6,6])(CH3)	110.6990	0.660	2	110.6990	0.436	2	110.6990	0.436	2	110.6990	0.436	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]C[6a]C[5]O[5])	103.2950	0.106	2	103.2950	0.011	2	108.7807	40.270	4	108.7807	40.270	4	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[5]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5])	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]O)(O[6]C[6,6a])(OC[5]){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]O)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	O(C[6,6]C[6,6a]C[6,6]O[6])(C[5]N[5]O[5]H)	114.2665	0.653	2	114.2665	0.426	2	108.7807	40.270	4	108.7807	40.270	4	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:O[6]-2:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH)	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Cl)(O[6]C[6])(OH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6]C[6,6]O[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	O(C[6,6]C[6,6a]C[6,6]O[6])(H)	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.0520	0.000	1	110.0520	0.000	1	110.6340	0.677	2	110.6340	0.677	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(OH){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	111.2160	0.000	1	111.2160	0.000	1	110.6340	0.677	2	110.6340	0.677	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,2|S<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	110.7320	0.000	1	105.7713	18.616	3	105.7713	18.616	3	105.7713	18.616	3	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(OC){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	103.2910	0.566	2	105.7713	18.616	3	105.7713	18.616	3	105.7713	18.616	3	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(CH3)	109.6105	1.078	2	109.6105	1.163	2	109.6105	1.163	2	109.6105	1.163	2	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH)	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(OH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	O(C[6,6]C[6,6a]C[5,6]C[6,6])(H)	108.7730	2.857	2	108.7730	8.161	2	108.7730	8.161	2	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(OH){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	109.5410	0.000	1	109.5410	0.000	1	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(OH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	111.7280	0.000	1	111.7280	0.000	1	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|N<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	111.0797	1.330	3	111.0797	1.770	3	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	110.1900	0.000	1	111.0787	0.827	3	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	111.0390	0.000	1	111.0787	0.827	3	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]HH)(OH){2|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,3|O<2>,4|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	112.0070	0.000	1	111.0787	0.827	3	110.9680	1.126	8	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6]-4:C[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH)	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]C[6a]H)(C[6,6]C[6]2C)(OH){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	O(C[6,6]C[6,6a]C[6,6]C[6])(H)	109.1530	0.000	1	109.1530	0.000	1	109.1530	0.000	1	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	3:4:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6]-4:N[6,6]-4:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH)	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2C)(OH){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	O(C[6,6]C[6,6a]N[6,6]C[6])(H)	112.8840	0.000	1	112.8840	0.000	1	112.8840	0.000	1	110.6106	2.828	12	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	O	4:3:3:2:	4:3:3:	4:1:	C[3x6]-4:C[6,6a]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	C[6,6](C[3x6]C[6,6a]O[6,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	O(C[6,6]C[6,6a]C[3x6]C[6])(H)	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	105.9090	0.000	1	110.0316	8.799	40	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH)	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2C[6a])(C[6,6]C[6]2H)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	106.4285	0.230	6	106.4285	0.053	6	106.4069	0.038	11	106.3724	0.049	12	106.3724	0.049	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3,6,6]-4:C[6,6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH)	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	C[6,6](C[3,6,6]C[3,6]2H)(C[6,6]C[6a]C[6]2)(C[6a]C[6a]2)(OH){6|C<3>,6|H<1>}	C[6a](C[6,6]C[3,6,6]C[6,6]O)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	O(C[6,6]C[3,6,6]C[6,6]C[6a])(H)	106.3810	0.167	5	106.3810	0.028	5	106.4069	0.038	11	106.3724	0.049	12	106.3724	0.049	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6,6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[3x6]-4:C[3x6]-4:C[6a]-3:O-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH)	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6,6]C[3x6]2C[6a])(H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(OH){2|C<4>,3|C<3>,9|H<1>}	C[6a](C[6,6]C[3x6]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	O(C[6,6]C[3x6]2C[6a])(H)	105.9930	0.000	1	105.9930	0.000	1	105.9930	0.000	1	106.3724	0.049	12	106.3724	0.049	12	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]H)(H)	108.3770	0.000	1	108.3770	0.000	1	108.3770	0.000	1	109.0338	1.957	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|H<1>,4|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	110.4780	0.590	2	110.4780	0.348	2	110.4780	0.348	2	109.0338	1.957	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]O[6]H)(H)	108.3570	0.000	1	108.3570	0.000	1	107.9180	0.385	2	109.0338	1.957	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:1:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO){4|C<3>}	O(C[6]C[6,6a]O[6]H)(H)	107.4790	0.000	1	107.4790	0.000	1	107.9180	0.385	2	109.0338	1.957	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:2:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6]H)(OC[6])	103.3413	0.443	3	103.3413	0.197	3	103.3413	0.197	3	103.3413	0.197	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|Br<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]O[6]H)(CH3)	108.1965	0.831	2	108.1965	0.690	2	108.1965	0.690	2	108.7540	4.279	13	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]O[6]H)(CC[5]CH)	113.0540	0.987	2	113.0540	0.974	2	113.0540	0.974	2	108.7540	4.279	13	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6]H)(CCHH)	108.0678	0.892	6	108.0678	0.796	6	108.0594	0.643	8	108.7540	4.279	13	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]O[6]H)(CC[6a]CH)	108.0340	0.723	2	108.0340	0.522	2	108.0594	0.643	8	108.7540	4.279	13	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:2:1:	3:3:4:	4:4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	O(C[6]C[6,6a]O[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]O[6]H)2	106.8260	0.000	1	106.8260	0.000	1	106.8260	0.000	1	108.7540	4.279	13	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:3:2:	3:3:4:	4:1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[6,6a]O[6]C)(H)	113.7840	0.000	2	113.7840	0.000	2	113.7840	0.000	2	113.7840	0.000	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:2:4:2:	3:3:4:	4:1:	C[6,6a]-3:O[6]-2:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO)	O(C[6]C[6,6a]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCFF)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]CO){5|C<3>}	O(C[6]C[6,6a]O[6]C)(H)	113.3490	0.000	1	113.3490	0.000	1	113.3490	0.000	1	113.3490	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:2:4:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6]H)(H)	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6580	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.1710	0.000	1	110.0215	16.251	2	111.4295	9.394	4	110.3165	8.616	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.8720	0.000	1	110.0215	16.251	2	111.4295	9.394	4	110.3165	8.616	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.8375	2.000	2	112.8375	4.002	2	111.4295	9.394	4	110.3165	8.616	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	O(C[6]C[6,6a]N[6]H)(H)	107.9660	0.000	1	107.9660	0.000	1	108.0905	0.031	2	110.3165	8.616	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]N[6]H)(H)	108.2150	0.000	1	108.2150	0.000	1	108.0905	0.031	2	110.3165	8.616	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]N[6]H)(CH3)	106.8175	0.260	2	106.8175	0.067	2	106.8175	0.067	2	109.1144	5.615	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){2|C<3>,4|H<1>}	O(C[6]C[6,6a]N[6]H)(CH3)	113.4940	0.000	1	113.4940	0.000	1	109.8800	5.034	6	109.1144	5.615	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6]H)(CH3)	111.8750	0.000	1	111.8750	0.000	1	109.8800	5.034	6	109.1144	5.615	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	O(C[6]C[6,6a]N[6]H)(CCHH)	108.5515	0.019	2	108.5515	0.000	2	109.8800	5.034	6	109.1144	5.615	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	O(C[6]C[6,6a]N[6]H)(CC[3]HH)	108.4040	0.489	2	108.4040	0.239	2	109.8800	5.034	6	109.1144	5.615	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	113.0270	0.000	1	113.0270	0.000	1	113.0270	0.000	1	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]2H)(H)	111.3215	1.942	2	112.2450	2.611	4	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2H)(H)	113.1685	0.805	2	112.2450	2.611	4	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]2H)(H)	109.0090	2.472	2	108.1210	1.246	12	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2H)(H)	107.5665	0.838	4	108.1210	1.246	12	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2H)(H)	108.5925	0.377	2	108.1210	1.246	12	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]2H)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2H)(H)	107.9958	0.822	4	108.1210	1.246	12	109.1520	4.837	16	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[5,6]H)(H)	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:1:	3:4:3:	4:1:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6,6a]H)(H)	110.0420	0.000	1	110.0420	0.000	1	110.0420	0.000	1	109.5170	5.030	19	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]CO){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2C)(H)	109.5670	0.366	2	109.5670	0.134	2	109.5670	0.134	2	110.1515	0.283	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)(OH){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<2>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	110.4437	0.291	4	110.4437	0.085	4	110.4437	0.085	4	110.1515	0.283	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	108.1320	3.877	4	108.1320	15.029	4	108.1320	15.029	4	109.3775	9.885	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(OC)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	110.0700	3.219	2	110.0700	10.360	2	110.6230	3.899	4	109.3775	9.885	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:O-2:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]C[6]OO){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	O(C[6]C[6,6a]C[6]O)(CH3)	111.1760	0.337	2	111.1760	0.113	2	110.6230	3.899	4	109.3775	9.885	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Br){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.1540	0.000	1	110.1540	0.000	1	108.3268	3.845	26	108.3268	3.845	26	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]Cl){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	108.4153	2.093	8	108.4153	4.381	8	108.3268	3.845	26	108.3268	3.845	26	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Br<1>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	104.1180	0.000	1	108.1777	3.855	17	108.3268	3.845	26	108.3268	3.845	26	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	109.5375	0.463	8	108.1777	3.855	17	108.3268	3.845	26	108.3268	3.845	26	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OH){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|H<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	107.3254	1.816	8	108.1777	3.855	17	108.3268	3.845	26	108.3268	3.845	26	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(CC)(OC){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(CH3)	110.6808	0.341	4	110.6808	0.116	4	110.6808	0.116	4	109.0015	18.302	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(OC)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2O)(CH3)	110.9073	0.375	4	110.9073	0.140	4	110.9073	0.140	4	109.0015	18.302	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:2:	3:4:3:	4:4:	C[6,6a]-3:C[6,6a]-3:O-2:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P)	O(C[6]C[6,6a]2O)2	C[6](C[6,6a]C[6,6a]C[6a])2(OC[6])(OPt){2|P<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]OO)(C[6a]C[6a]P){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2O)2	101.8315	5.943	2	101.8315	35.321	2	101.8315	35.321	2	109.0015	18.302	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:2:4:	3:2:4:	4:4:	C[6,6a]-3:N[6]-3:O-2:C-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[5]-4:C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OC[5])(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[5]C[5,6a]C[5,5]C)(C[6]C[6,6a]N[6]C)	104.7290	0.000	1	104.7290	0.000	1	104.7290	0.000	1	104.7290	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	108.2360	0.000	1	108.2360	0.000	1	108.2360	0.000	1	107.2130	0.789	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	O(C[6]C[6,6a]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){3|C<3>,3|H<1>}	O(C[6]C[6,6a]N[6]C)(H)	106.7015	0.093	2	106.7015	0.009	2	106.7015	0.009	2	107.2130	0.789	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(CH3)	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[5a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6,6a]O)(OH){1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5a]C[6])(H)	111.0640	0.000	1	111.0640	0.000	1	111.0640	0.000	1	107.5634	19.379	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){1|H<1>,7|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	110.5090	0.000	1	110.6220	0.026	2	110.6220	0.026	2	107.5634	19.379	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]C[6a]O)(C[6a]C[6a]H){8|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	110.7350	0.000	1	110.6220	0.026	2	110.6220	0.026	2	107.5634	19.379	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	102.7545	0.525	2	102.7545	0.276	2	102.7545	0.276	2	107.5634	19.379	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<2>,2|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(OH)	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(CH3)	109.2250	2.048	2	109.2250	4.193	2	109.2250	4.193	2	109.2250	4.193	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	107.8870	0.000	1	107.8870	0.000	1	107.8870	0.000	1	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	107.9020	0.442	6	107.9020	0.195	6	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	104.3610	0.033	2	104.3610	0.001	2	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	109.6009	0.937	10	109.5591	0.754	12	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,2|O<2>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	109.3500	0.539	2	109.5591	0.754	12	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|H<1>,2|O<2>,6|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	107.1570	0.102	2	107.1570	0.010	2	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	108.8117	0.635	32	108.7575	0.433	34	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	107.8905	0.419	2	108.7575	0.433	34	108.6234	1.426	56	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]N[5a,6]C[6a]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	108.5616	1.524	58	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CCHH)	108.4895	3.618	2	108.4895	13.092	2	109.8648	2.970	8	109.8648	2.970	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H){1|H<1>,6|C<3>}	O(C[6]C[6,6a]2C[6a])(CH3)	110.7480	0.238	2	110.7480	0.056	2	109.8648	2.970	8	109.8648	2.970	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CCHH)	110.2025	1.399	2	110.2025	1.958	2	109.8648	2.970	8	109.8648	2.970	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CH3)	110.0190	0.259	2	110.0190	0.067	2	109.8648	2.970	8	109.8648	2.970	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:2:4:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(CCCH)(OC){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]CO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]N[6]C)(CH3)	106.0520	3.455	3	106.0520	11.937	3	106.0520	11.937	3	106.0520	11.937	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|O<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2C)(H)	110.6020	0.000	1	110.6020	0.000	1	109.7967	0.243	9	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	O(C[6]C[6,6a]2C)(H)	109.8077	0.367	4	109.6960	0.174	8	109.7967	0.243	9	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2C)(H)	109.5842	0.487	4	109.6960	0.174	8	109.7967	0.243	9	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH)	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[3,6]O)(CCHH)(OH){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6,6a]C[3,5,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]C)(H)	108.5980	0.000	1	108.5980	0.000	1	108.5980	0.000	1	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	110.7150	1.966	2	110.7150	3.864	2	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCHN)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	112.0350	0.000	1	112.0350	0.000	1	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CC[5a]HH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	113.1600	0.000	1	113.1600	0.000	1	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	110.7590	0.000	1	109.3197	1.641	3	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	108.6000	0.417	2	109.3197	1.641	3	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[5a]HH)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)(H)	110.6695	2.263	2	110.6695	5.123	2	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)(H)	109.4917	1.052	3	109.4917	1.107	3	110.3665	2.826	12	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]O)(CCHH)(OH){1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	110.0220	1.700	23	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:2:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:Ge-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(GeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(CCCH)(OGe){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(GeC[6a])	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	112.6210	0.000	1	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CCHH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)(CCHH)	107.3330	0.061	2	107.3330	0.004	2	107.0962	0.120	4	109.2277	11.009	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CC[6a]HH)(OC){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[6]C)(CCHH)	106.8595	0.363	2	106.8595	0.132	2	107.0962	0.120	4	109.2277	11.009	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6,6a]-3:N[6]-3:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	O(C[6]C[6,6a]N[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[6]C)(CH3)	113.4905	0.411	2	113.4905	0.169	2	113.4905	0.169	2	109.2277	11.009	6	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(CC[6]HH)(OH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]N[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	O(C[6]C[6,6a]C[6,6]C)(H)	108.8660	0.000	1	108.8660	0.000	1	108.8660	0.000	1	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	108.9450	0.000	1	108.9450	0.000	1	108.9450	0.000	1	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH)	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(CF3)(OH){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]N[5,6]N[6a])(C[6]C[6,6a]CO)(C[6a]N[6a]O){3|C<3>,3|C<4>}	O(C[6]C[6,6a]2C)(H)	113.8590	0.000	1	113.8590	0.000	1	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	107.9540	0.000	1	107.9540	0.000	1	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	107.2188	1.076	4	108.7195	3.341	8	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.2202	0.795	4	108.7195	3.341	8	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(OH){1|C<4>,2|C<3>,2|N<2>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	108.5343	2.141	4	108.5343	4.583	4	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.8135	0.245	4	110.7298	0.053	6	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.5625	0.021	2	110.7298	0.053	6	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(OH){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]2C)(H)	111.4550	0.740	2	111.4550	0.547	2	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.5270	0.000	1	110.5270	0.000	1	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(OH){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]2C)(H)	110.1250	0.000	1	110.1250	0.000	1	109.7353	3.686	24	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	110.1930	0.000	1	110.1930	0.000	1	108.9427	1.199	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	108.1550	0.000	1	108.1550	0.000	1	108.9427	1.199	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]O)(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	O(C[6]C[6,6a]C[6a]C[6])(H)	108.4800	0.000	1	108.4800	0.000	1	108.9427	1.199	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CC[6a]HH)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[5a,6]C)(H)	107.8190	0.000	1	107.8190	0.000	1	109.3067	7.480	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]N[5a,6]C)(H)	112.4630	0.000	1	110.0505	11.640	2	109.3067	7.480	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	3:4:3:	4:1:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]N[5a,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(CH3)(OH){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]CO)(C[6a]C[6a]H){2|C<3>,2|H<1>,2|N<2>}	O(C[6]C[6,6a]N[5a,6]C)(H)	107.6380	0.000	1	110.0505	11.640	2	109.3067	7.480	3	109.5689	3.389	32	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2O)(OH){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6])(H)	109.0422	1.940	4	109.0422	3.762	4	109.0422	3.762	4	109.0422	3.762	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:3:4:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi)	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6])(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]N[6]H)(OSi){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6]O)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]2C[6])(SiC3)	110.8150	0.378	2	110.8150	0.143	2	110.8150	0.143	2	110.8150	0.143	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:2:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CC[6a]HH)	103.8860	0.471	2	103.8860	0.222	2	104.6367	1.801	3	104.6367	1.801	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:2:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	106.1380	0.000	1	106.1380	0.000	1	104.6367	1.801	3	104.6367	1.801	3	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[3,6]H)(H)	111.2785	0.774	8	111.2785	0.600	8	111.2785	0.600	8	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.9550	0.000	1	108.9550	0.000	1	108.9550	0.000	1	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO){2|C<4>,4|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.5870	0.000	1	108.5870	0.000	1	108.5870	0.000	1	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.1095	0.713	2	112.1095	0.509	2	112.1095	0.509	2	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.9180	0.000	1	107.9180	0.000	1	107.9180	0.000	1	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,2|C<4>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.4485	2.945	2	107.4485	8.674	2	109.0185	6.179	4	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.6340	0.000	1	110.6340	0.000	1	109.0185	6.179	4	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.5430	0.000	1	110.5430	0.000	1	109.0185	6.179	4	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.0700	0.263	2	112.0700	0.069	2	112.0070	0.047	3	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	111.8810	0.000	1	111.8810	0.000	1	112.0070	0.047	3	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.8260	0.000	1	109.8260	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	112.6475	0.405	2	112.6475	0.164	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.7150	0.000	1	108.7150	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.7250	0.000	1	112.3470	0.286	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.9690	0.000	1	112.3470	0.286	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6]H)(H)	109.9170	0.000	1	109.9170	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.2370	0.000	1	110.2370	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.2580	0.000	1	110.2580	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.5475	0.354	2	111.5475	0.126	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.3330	0.000	1	113.3330	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	109.2250	0.000	1	109.2250	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.1460	0.000	1	112.1460	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.6540	0.000	1	111.6540	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	111.4390	0.000	1	111.4390	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	113.0790	0.000	1	113.0790	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.1430	0.000	1	111.1430	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.1570	0.816	2	110.1570	0.666	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.2060	0.000	1	110.2060	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.7370	0.000	1	108.7370	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.6295	1.173	2	109.6295	1.376	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.3543	1.231	3	109.5448	3.776	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.3305	1.201	2	109.5448	3.776	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	114.4940	0.000	1	114.4940	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.0250	0.219	3	109.0250	0.048	3	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.9580	0.000	1	109.9580	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	107.4620	0.523	2	107.4620	0.274	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.5510	0.000	1	109.5510	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	105.9455	0.023	2	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.3820	0.000	1	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.6770	0.803	3	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.6335	1.893	2	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	111.6770	0.000	1	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.7500	0.000	1	110.0998	5.598	10	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.6000	0.000	1	110.1340	12.162	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.6680	0.000	1	110.1340	12.162	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.1310	0.000	1	112.1310	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.9810	0.093	2	110.9400	2.926	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.3880	0.000	1	110.9400	2.926	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.4100	0.000	1	110.9400	2.926	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.0740	0.000	1	107.0740	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.1435	0.036	2	109.1435	0.001	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.6370	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.6540	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.8390	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	113.7470	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.9330	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.5420	0.000	1	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.4255	0.354	2	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.9603	0.385	4	111.3370	4.372	12	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.3620	0.000	1	111.6850	10.793	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	114.0080	0.000	1	111.6850	10.793	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.5270	0.000	1	108.5270	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.8582	1.760	4	111.8582	3.097	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.2500	0.000	1	111.2500	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.1110	0.000	1	109.2392	0.154	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.2713	0.445	4	109.2392	0.154	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.3295	0.221	2	107.3295	0.049	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.5850	0.581	2	111.5850	0.338	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.5980	0.000	1	109.5980	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	108.9590	0.000	1	108.9590	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.5485	2.169	4	111.0456	4.792	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	109.0340	0.000	1	111.0456	4.792	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.0010	0.000	1	111.0010	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.2810	0.000	1	110.2810	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.8955	3.014	2	110.3255	4.547	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.7555	1.804	2	110.3255	4.547	4	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.5950	0.000	1	110.3925	0.082	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.1900	0.000	1	110.3925	0.082	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	108.7850	0.000	1	110.4540	3.056	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.8795	0.330	2	110.4540	3.056	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.3300	0.000	1	110.4540	3.056	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	113.3960	0.000	1	110.4540	3.056	5	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	111.1640	0.322	2	111.1640	0.104	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	112.4740	0.000	1	112.4740	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|P<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.7400	0.000	1	112.7400	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.2935	2.101	2	111.2935	4.413	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	110.2750	0.000	1	110.2750	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	107.6740	0.000	1	107.0055	0.894	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	106.3370	0.000	1	107.0055	0.894	2	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.0240	0.000	1	111.3061	0.276	9	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[6]H)(H)	111.3414	0.550	8	111.3061	0.276	9	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	111.3880	0.000	1	111.3880	0.000	1	110.5316	3.454	125	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	110.5250	0.000	1	110.5250	0.000	1	110.0047	10.626	3	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	106.5160	0.000	1	106.5160	0.000	1	110.0047	10.626	3	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(H)	112.9730	0.000	1	112.9730	0.000	1	110.0047	10.626	3	110.5302	3.483	148	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	107.8520	0.081	2	107.8520	0.006	2	107.8520	0.006	2	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	110.2375	0.152	2	110.2375	0.023	2	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CCHH)	110.8750	0.000	1	110.8750	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	105.7280	0.000	1	105.7280	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CCHH)	105.7280	0.000	1	105.7280	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CCHH)	111.5080	0.000	1	111.5080	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	113.0070	0.000	1	113.0070	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	107.4330	0.197	2	107.4563	0.021	3	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	107.5030	0.000	1	107.4563	0.021	3	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	114.2100	0.000	1	114.2100	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(CH3)	106.8890	0.000	1	106.8890	0.000	1	109.2324	8.046	12	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]H)(C[6]C[6]O[6]H)	106.9840	0.156	2	106.9840	0.024	2	106.9840	0.024	2	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	108.1640	0.000	1	108.1640	0.000	1	108.1393	0.191	3	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(SiC3)	108.5630	0.000	1	108.5630	0.000	1	108.1393	0.191	3	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]H)(SiC[6a]2C)	107.6910	0.000	1	107.6910	0.000	1	108.1393	0.191	3	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	O(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]H)(CH3)	109.3830	0.000	1	109.3830	0.000	1	109.3830	0.000	1	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	O(C[6]C[6,6a]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[6,6a]N[6]H)(CH3)	108.4820	0.000	1	108.4820	0.000	1	108.4820	0.000	1	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:P[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO)	O(C[6]C[6,6a]P[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO){1|Cl<1>,1|W<6>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]P[6]H)(CH3)	112.1240	0.000	1	112.1240	0.000	1	112.1240	0.000	1	108.8576	5.347	22	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:2:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a])	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	113.2330	0.000	1	113.2330	0.000	1	113.2330	0.000	1	110.2238	4.282	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:2:	4:1:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	O(C[6]C[6,6a]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]H)(H)	109.4715	1.391	4	109.4715	1.936	4	109.4715	1.936	4	110.2238	4.282	5	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	O(C[6]C[6,6a]C[3,6]H)(H)	110.8320	0.000	1	110.8320	0.000	1	111.8190	1.948	2	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[3,6]H)(H)	112.8060	0.000	1	112.8060	0.000	1	111.8190	1.948	2	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	107.2950	0.000	1	107.2950	0.000	1	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	109.9020	0.711	2	111.2217	5.478	3	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	113.8610	0.000	1	111.2217	5.478	3	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.8350	0.000	1	110.8350	0.000	1	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.8210	0.899	2	111.8210	0.809	2	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.1990	0.000	1	108.1990	0.000	1	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	114.2630	0.000	1	114.2630	0.000	1	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	113.1695	0.504	2	113.1695	0.254	2	111.2944	5.422	11	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	O(C[6]C[6,6a]C[6,6]H)(H)	112.3800	0.000	1	112.3800	0.000	1	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	107.5920	1.286	2	109.4273	2.060	7	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.0215	0.544	4	109.4273	2.060	7	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.7210	0.000	1	109.4273	2.060	7	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.6630	0.000	1	110.0384	2.039	5	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6,6]H)(H)	109.5637	1.796	3	110.0384	2.039	5	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	O(C[6]C[6,6a]C[6,6]H)(H)	110.8380	0.000	1	110.0384	2.039	5	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	O(C[6]C[6,6a]C[6,6]H)(H)	107.8950	0.877	2	107.8950	0.769	2	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	113.2280	0.000	1	113.2280	0.000	1	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	108.8670	0.000	1	108.8670	0.000	1	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	112.3890	0.000	1	111.0300	3.694	2	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	109.6710	0.000	1	111.0300	3.694	2	109.9215	3.084	19	110.5024	4.017	33	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	110.3245	4.581	2	110.3245	20.989	2	110.7153	10.953	3	109.8265	3.974	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	O(C[6]C[6,6a]C[5,6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	O(C[6]C[6,6a]C[5,6]H)(CH3)	111.4970	0.000	1	111.4970	0.000	1	110.7153	10.953	3	109.8265	3.974	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)2	108.9515	0.243	2	108.9515	0.059	2	108.9515	0.059	2	109.8265	3.974	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	110.5760	0.000	1	110.5760	0.000	1	109.5210	0.835	3	109.8265	3.974	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:Si-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	108.9935	0.033	2	108.9935	0.001	2	109.5210	0.835	3	109.8265	3.974	8	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:2:	3:2:4:	4:4:	C[6,6a]-3:C[6]-4:O-2:O-2:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO)	O(C[6]C[6,6a]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(OC)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]OO){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]O)(CH3)	108.1865	3.426	2	108.1865	11.737	2	108.1865	11.737	2	108.1865	11.737	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:2:2:	3:4:3:	4:1:	C[6,6a]-3:C[5,6]-4:C-2:O-2:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH)	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)(OH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	O(C[6]C[6,6a]C[5,6]C)(H)	107.4160	0.238	2	107.4160	0.056	2	107.4160	0.056	2	107.4160	0.056	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	108.4430	0.000	1	108.5805	0.038	2	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	108.7180	0.000	1	108.5805	0.038	2	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	O(C[6]C[6,6a]C[6]C)(H)	108.9180	0.000	1	108.9180	0.000	1	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	107.7638	0.687	4	107.7638	0.472	4	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	110.4260	0.000	1	110.4260	0.000	1	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	108.3280	0.000	1	108.3280	0.000	1	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	107.3890	0.000	1	107.3890	0.000	1	108.3277	0.943	10	108.3277	0.943	10	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6]-4:C[5a]-3:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5a]O)(C[5a]C[5a]2)(OH){1|C<4>,1|S<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]O)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,6|C<3>}	O(C[6]C[6,6a]C[5a]C[6])(H)	109.4945	0.647	4	109.4945	0.418	4	109.4945	0.418	4	109.4945	0.418	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O)	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[5])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	O(C[6]C[6,6a]C[5]C[6])(H)	108.7180	0.000	1	108.7180	0.000	1	109.2400	0.209	3	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[5]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O)	O(C[6]C[6,6a]C[5]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6])(C[6]C[5]C[6]O){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	O(C[6]C[6,6a]C[5]C[6])(H)	109.5010	0.095	2	109.5010	0.009	2	109.2400	0.209	3	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	111.7070	0.000	1	111.7070	0.000	1	111.7070	0.000	1	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CH3)(OH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	110.7930	0.000	1	110.7930	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(CCCH)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	109.2560	0.000	1	109.2560	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CH3)(OH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[6]C)(H)	110.9660	0.000	1	110.9660	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2H)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	111.1475	1.138	2	111.1475	1.294	2	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(CF3)(OH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	112.9900	0.000	1	112.9900	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCFF)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,6|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	109.9440	0.000	1	109.9440	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[5a]CH)(OH){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	104.9880	0.000	1	104.9880	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CF3)(OH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	113.5230	0.000	1	113.5230	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|S<4>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	107.9265	0.879	2	107.9265	0.773	2	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(OH){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	110.7950	0.000	1	110.7950	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(CH3)(OH){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|F<1>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	107.5970	0.000	1	107.5970	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)(OH){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|N<3>,2|C<3>,5|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	107.6470	0.000	1	107.6470	0.000	1	109.7605	5.618	14	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C-4:O-2:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO)	O(C[6]C[6,6a]C[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(OH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]O[6a])(C[6]C[6]CO){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6]C)(H)	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6,6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6,6a]C[6]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6]C[6]HH)(OH){1|F<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	O(C[6]C[6,6a]C[6]2)(H)	111.6020	0.000	1	111.6020	0.000	1	111.6020	0.000	1	109.7178	4.784	20	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[6,6a]C[6,6]C)(H)	108.4100	0.000	3	108.4100	0.000	3	109.0225	1.501	4	109.0225	1.501	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6]-4:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCHH)(OH){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[6,6]C)(H)	110.8600	0.000	1	110.8600	0.000	1	109.0225	1.501	4	109.0225	1.501	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	3:4:4:2:	3:4:3:	4:4:	C[6,6a]-3:C[3,6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(C[6]C[6,6a]C[6]C)(OC){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]C[6]O)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,3|H<1>,3|O<2>}	O(C[6]C[6,6a]C[3,6]C[6])(CHHO)	110.3715	1.190	2	110.3715	1.416	2	110.3715	1.416	2	110.3715	1.416	2	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3,6]H)(H)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[3,6]H)(H)	112.7213	0.442	3	112.7213	0.196	3	112.7213	0.196	3	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	108.4670	0.000	1	108.4670	0.000	1	110.9428	2.682	6	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	111.2567	1.341	4	111.4380	1.513	5	110.9428	2.682	6	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6]H)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6]H)(H)	112.1630	0.000	1	111.4380	1.513	5	110.9428	2.682	6	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[4x6]H)(H)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	O(C[6]C[6,6a]C[4x6]H)(H)	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.0945	0.107	2	112.1072	1.693	5	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.1630	0.000	1	112.1072	1.693	5	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.5920	2.324	2	112.1072	1.693	5	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	114.7390	0.000	1	114.7390	0.000	1	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	106.5940	0.000	1	106.5940	0.000	1	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	108.9880	0.000	1	108.9880	0.000	1	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.9680	0.000	1	110.9680	0.000	1	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	112.5130	0.121	3	112.5130	0.015	3	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(H)	110.3000	0.543	2	110.3000	0.295	2	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	113.6750	0.000	1	113.6750	0.000	1	111.5759	4.335	15	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	O(C[6]C[6,6a]C[5,6]H)(H)	111.6680	0.000	1	111.6680	0.000	1	111.6680	0.000	1	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:1:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[6,6a]C[6,6]H)(H)	111.1300	0.000	1	111.1300	0.000	1	111.1300	0.000	1	111.5822	3.147	27	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H)	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5,6,6]C[6,6a]H)(CCHH)	110.0450	0.441	2	110.0450	0.195	2	110.0450	0.195	2	110.8010	0.901	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:Si-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	111.8900	0.000	1	111.8900	0.000	1	111.5570	0.222	2	110.8010	0.901	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:2:1:	3:4:3:	4:4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:Si-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]H)(SiC3)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[6,6a]C[5,6]H)(SiC3)	111.2240	0.000	1	111.2240	0.000	1	111.5570	0.222	2	110.8010	0.901	4	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[3x6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[3x6]C)(H)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[3x6]C)(H)	109.7070	1.138	2	109.7070	1.296	2	109.7070	1.296	2	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]C)(H)	110.2715	0.837	2	108.9109	1.162	7	108.8371	1.348	11	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[5,6]C)(H)	108.3666	0.521	5	108.9109	1.162	7	108.8371	1.348	11	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	109.9250	0.174	2	109.9250	0.030	2	108.8371	1.348	11	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[5,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[5,6]C)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6,6a]C[6,6a]C[6a])(CCHH)(OH){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	O(C[6]C[6,6a]C[5,6]C)(H)	107.4910	0.668	2	107.4910	0.446	2	108.8371	1.348	11	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6,6a]	O	4:3:4:2:	3:4:3:	4:1:	C[6,6]-4:C[6,6a]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6,6]C)(H)	C[6](C[6,6]C[4,5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(OH){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]CO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6,6a]C[6,6]C)(H)	107.4790	0.000	1	107.4790	0.000	1	107.4790	0.000	1	108.8644	1.394	14	109.6585	4.998	566	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O)	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(S[6]C[6])(OC){1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O){2|H<1>,3|C<3>}	O(C[6]C[6a]S[6]2)(CH3)	113.9455	0.576	2	113.9455	0.332	2	114.3007	0.544	3	114.3007	0.544	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:2:2:	3:3:4:	4:4:	C[6a]-3:S[6]-2:S[6]-2:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O)	O(C[6]C[6a]S[6]2)(CH3)	C[6](C[6a]C[6a]2)(S[6]C[6])2(OC){2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2O){2|H<1>,3|C<3>}	O(C[6]C[6a]S[6]2)(CH3)	115.0110	0.000	1	115.0110	0.000	1	114.3007	0.544	3	114.3007	0.544	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(OH){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	110.4050	0.000	1	110.4050	0.000	1	108.4338	1.543	5	108.4338	1.543	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	107.4600	0.404	2	107.4600	0.164	2	108.4338	1.543	5	108.4338	1.543	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:1:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]S)(OH){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(H)	108.4220	0.477	2	108.4220	0.227	2	108.4338	1.543	5	108.4338	1.543	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CCHH)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)(OC){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(CCHH)	112.4500	0.000	1	112.4500	0.000	1	114.4878	1.887	4	114.4878	1.887	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	115.0235	0.042	2	115.1670	0.063	3	114.4878	1.887	4	114.4878	1.887	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:3:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(OC){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(CCCH)	115.4540	0.000	1	115.1670	0.063	3	114.4878	1.887	4	114.4878	1.887	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:4:2:	4:3:3:	4:1:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(OH){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.5510	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:4:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(CH3)	112.7090	0.533	2	112.7327	0.144	3	112.7327	0.144	3	112.4070	0.305	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:4:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OC){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(CH3)	112.7800	0.000	1	112.7327	0.144	3	112.7327	0.144	3	112.4070	0.305	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:4:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(SiC3)	111.6560	0.000	1	111.9185	0.138	2	111.9185	0.138	2	112.4070	0.305	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:2:4:2:	4:3:3:	4:4:	C[6a]-3:O[6]-2:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(SiC3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(OSi){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(SiC3)	112.1810	0.000	1	111.9185	0.138	2	111.9185	0.138	2	112.4070	0.305	5	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:2:2:	4:3:3:	4:1:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(O[6]C[6,6])(OH){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	108.8370	0.000	2	108.8370	0.000	2	108.8370	0.000	2	108.8370	0.000	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:2:2:	4:3:3:	4:4:	C[6]-3:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){3|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]O[6])(CCCH)	106.2913	0.733	4	106.2913	0.537	4	106.2913	0.537	4	106.2913	0.537	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,5|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	112.2880	0.000	1	112.2880	0.000	1	109.8983	4.287	3	108.7856	2.906	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	108.7035	0.090	2	108.7035	0.008	2	109.8983	4.287	3	108.7856	2.906	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OH){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.4230	0.195	2	107.4230	0.038	2	107.9510	0.787	4	108.7856	2.906	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2(OH){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|C<3>,1|C<4>,1|O<2>,2|N<3>,2|O<1>}	O(C[6]C[6a]C[6]2)(H)	108.4790	1.099	2	108.4790	1.207	2	107.9510	0.787	4	108.7856	2.906	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(OC){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	107.8807	4.051	26	107.8807	16.408	26	107.7801	16.050	27	107.7801	16.050	27	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:3:4:	4:4:	C[6a]-3:C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(OC){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2O){1|H<1>,3|C<3>,3|O<2>}	O(C[6]C[6a]C[6]2)(CH3)	105.1650	0.000	1	105.1650	0.000	1	107.7801	16.050	27	107.7801	16.050	27	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:4:2:	4:4:	C[6a]-3:N[6]-3:N[6]-3:O-2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC)	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a])	O(C[6]C[6a]N[6]2)(CH3)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)2(OC){1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2O)(N[6a]C[6a]){2|Re<6>,2|H<1>,3|C<3>}	O(C[6]C[6a]N[6]2)(CH3)	104.6530	0.014	2	104.6530	0.000	2	104.6530	0.000	2	104.6530	0.000	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(OH){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2O)(C[6a]C[6a]H){2|H<1>,7|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	106.4527	1.053	3	106.4527	1.108	3	106.4527	1.108	3	107.2230	3.112	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:4:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	109.5340	0.000	1	109.5340	0.000	1	109.5340	0.000	1	107.2230	3.112	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	3:4:3:	4:4:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(OC){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]O)(C[6a]C[6a]H){3|H<1>,6|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(CH3)	103.6135	0.312	2	103.6135	0.097	2	103.6135	0.097	2	103.6135	0.097	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:2:	4:4:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C-4:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a])	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(OC){1|Zn<4>,1|H<1>,1|N<3>,7|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<3>,2|H<1>,4|C<3>}	O(C[6]C[6a]C[6]N[6])(CH3)	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	107.6740	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a]C[6a])(H)	106.8430	0.000	1	106.8430	0.000	1	106.8430	0.000	1	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[5a,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]O)(OH){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6a]C[6])(H)	111.1350	0.000	1	111.1350	0.000	1	111.1350	0.000	1	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])2(C[6a]C[6a]2)(OH){4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	106.1950	0.000	1	106.1950	0.000	1	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	107.7350	0.000	1	107.7350	0.000	1	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	106.4928	0.541	6	106.8232	1.942	24	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	111.0680	0.068	2	106.8232	1.942	24	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	107.4870	0.000	1	106.8232	1.942	24	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OH){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(H)	106.3451	0.435	15	106.8232	1.942	24	106.8341	1.836	26	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(OH){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]O)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]N[5a,6]C[6a])(H)	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]O)(OH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]N[6])(H)	109.1020	0.000	1	109.1020	0.000	1	109.1020	0.000	1	107.2422	3.332	30	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:2:	C[6,6a]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]C[6a]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(OO){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(OH)	101.5920	0.000	1	101.5920	0.000	1	101.5920	0.000	1	101.5920	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC)	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)(OC){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5,6,6]C[6a]C[6])(CH3)	105.1340	0.033	2	105.1340	0.001	2	105.1340	0.001	2	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H)	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]2)(C[6a]C[6a]H){1|Br<1>,1|H<1>,7|C<3>}	O(C[6]C[6,6a]2C[6a])(CCHH)	106.2070	0.000	1	106.2070	0.000	1	105.8383	1.098	4	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O)	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CH3)	105.3700	0.000	1	105.3700	0.000	1	105.8383	1.098	4	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CCHH)	107.0990	0.000	1	107.0990	0.000	1	105.8383	1.098	4	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC)	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]2C[6a])(CH3)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(OC){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2O)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	O(C[6]C[6,6a]2C[6a])(CH3)	104.6770	0.000	1	104.6770	0.000	1	105.8383	1.098	4	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:3:2:	4:3:3:	4:4:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]N[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]H)(OC){1|N<3>,1|S<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]N[6])(CH3)	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	105.8296	1.017	7	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.9180	0.000	1	109.9180	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CC)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[6a]C[6]2)(H)	110.1590	0.000	1	110.1590	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]CH)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.7165	1.191	4	109.7165	1.419	4	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]HH)(OH){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.6770	0.000	1	111.6770	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]CH)(OH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.3150	0.143	2	111.3150	0.020	2	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|H<1>,4|C<3>}	O(C[6]C[6a]C[6]2)(H)	106.3970	0.000	1	106.3970	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.5570	0.000	1	107.5570	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:1:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]HH)(OH){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.3500	0.000	1	108.3500	0.000	1	109.6295	2.811	12	109.6295	2.811	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	3:3:4:	4:4:	C[6]-3:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HO)(OC){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	O(C[6]C[6a]C[6]2)(CH3)	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	112.4630	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	105.7820	1.055	3	105.7820	1.113	3	105.7820	1.113	3	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[5a,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH)	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5a,6]C[6a]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(OH){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6a]C[6])(H)	110.9680	0.000	1	110.9680	0.000	1	110.9680	0.000	1	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	O(C[6]C[6,6]C[6a]C[6])(H)	107.5785	0.064	2	107.5785	0.004	2	107.5785	0.004	2	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(OH){5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	O(C[6]C[6,6a]C[6a]C[6])(H)	104.4560	0.000	1	104.4560	0.000	1	106.6570	3.943	3	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	O(C[6]C[6,6a]C[6a]C[6])(H)	108.3140	0.000	1	108.3140	0.000	1	106.6570	3.943	3	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	C[6,6a]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH)	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H)	O(C[6]C[6,6a]C[6a]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(OH){2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]O)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6,6a]C[6a]C[6])(H)	107.2010	0.000	1	107.2010	0.000	1	106.6570	3.943	3	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:3:4:2:	4:3:3:	4:1:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]N[5,6]C[6a]C[6])(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]O)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	O(C[6]N[5,6]C[6a]C[6])(H)	112.9325	0.030	2	112.9325	0.001	2	112.9325	0.001	2	108.1188	8.796	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]O[6])(OH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	112.7680	0.000	1	112.7680	0.000	1	110.7945	5.831	6	110.7945	5.831	6	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(O[6]N[6])(OH){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	108.5360	0.000	1	108.5360	0.000	1	110.7945	5.831	6	110.7945	5.831	6	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<4>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	112.5330	0.000	1	109.7910	15.037	2	110.7945	5.831	6	110.7945	5.831	6	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	107.0490	0.000	1	109.7910	15.037	2	110.7945	5.831	6	110.7945	5.831	6	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(OH){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	111.9405	0.694	2	111.9405	0.481	2	110.7945	5.831	6	110.7945	5.831	6	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:3:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[5a]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a])	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(ON[5a]){3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(N[5a]C[5a]2)	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:2:2:	4:3:3:	4:4:	C[6a]-3:C[6]-4:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6,6])(OC){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	O(C[6]C[6a]C[6]O[6])(CH3)	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	111.9760	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.2920	0.000	1	109.8297	1.613	3	108.7891	3.676	11	108.7891	3.676	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(OH){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.0985	0.132	2	109.8297	1.613	3	108.7891	3.676	11	108.7891	3.676	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(OH){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.6570	0.245	2	111.6570	0.060	2	108.7891	3.676	11	108.7891	3.676	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	107.3128	0.374	6	107.3128	0.140	6	108.7891	3.676	11	108.7891	3.676	11	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	O(C[6]C[6a]C[6]2)(CCHH)	108.8250	0.000	1	108.8250	0.000	1	107.2755	4.802	2	107.2755	4.802	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]C)(OC){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(CCHH)	105.7260	0.000	1	105.7260	0.000	1	107.2755	4.802	2	107.2755	4.802	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2	O(C[6]C[5a,6]C[6a]P[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(OH){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]P[6]O)(C[6a]C[6a]H)2{1|O<1>,1|S<2>,2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6a]P[6])(H)	112.7070	0.000	1	112.7070	0.000	1	112.7070	0.000	1	109.6720	18.422	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:3:2:	4:3:3:	4:1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH)	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(OH){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]O)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6a]C[6]N[6])(H)	106.6370	0.000	1	106.6370	0.000	1	106.6370	0.000	1	109.6720	18.422	2	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,4|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.5000	0.000	1	110.5000	0.000	1	110.5000	0.000	1	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	112.6740	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.9080	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	113.1610	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.9550	1.832	5	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.3840	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.2260	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.7997	0.449	7	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.5280	0.000	1	110.7919	1.704	18	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(OH){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.8680	0.000	1	109.8680	0.000	1	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,4|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.6420	0.000	2	110.8543	0.135	3	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(OH){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.2790	0.000	1	110.8543	0.135	3	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH)	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)2(OH){1|C<4>,2|C<3>,6|F<1>}	C[6a](C[6a]C[6a]F)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|F<1>}	O(C[6]C[6a]C[6]2)(H)	113.4470	1.034	2	113.4470	1.069	2	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.1640	0.083	2	111.1640	0.007	2	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(OH){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.4830	0.000	1	110.4830	0.000	1	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.6817	1.849	3	110.8595	2.407	4	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(OH){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.3930	0.000	1	110.8595	2.407	4	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.8570	0.000	1	110.8570	0.000	1	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.3320	1.918	2	110.3320	3.677	2	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.2700	0.000	1	110.0093	2.282	3	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(OH){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|S<2>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.8790	0.160	2	110.0093	2.282	3	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CH)(OH){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.3845	0.080	2	110.3845	0.006	2	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<3>,3|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.2550	0.000	1	111.2550	0.000	1	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.9935	0.972	2	110.9935	0.945	2	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.6360	0.000	1	111.6360	0.000	1	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]C)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	108.6503	3.059	3	108.6503	9.358	3	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.3110	0.000	1	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.4280	1.221	4	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.4820	0.000	1	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.7683	1.219	27	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,3|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	111.2080	0.000	1	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OH){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.4200	0.000	1	110.6822	1.338	35	110.7019	1.793	81	110.6994	1.771	82	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(OC){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	110.8160	0.000	1	110.8160	0.000	1	109.6220	0.782	9	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	110.3440	0.000	1	109.3410	2.012	2	109.6220	0.782	9	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	O(C[6]C[6a]C[6]2)(CH3)	108.3380	0.000	1	109.3410	2.012	2	109.6220	0.782	9	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CHHO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(CHHO)	109.5167	0.720	6	109.5167	0.519	6	109.6220	0.782	9	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(OC[6]){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2O){2|C<4>,3|C<3>,6|H<1>}	O(C[6]C[6a]C[6]2)2	111.3040	0.078	2	111.3040	0.006	2	111.3040	0.006	2	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:3:4:	4:4:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(OSi){4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){2|C<4>,3|C<3>,4|H<1>}	O(C[6]C[6a]C[6]2)(SiC3)	108.2730	0.000	1	108.2730	0.000	1	108.2730	0.000	1	109.7899	1.218	12	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	3:4:4:2:	3:4:2:	4:1:	C[6a]-3:C[6]-4:C[6]-4:O-2:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a])	O(C[6]C[6a]C[6]2)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(C[6]C[6]HH)(OH){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2O)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.3863	0.507	4	109.3863	0.257	4	109.3863	0.257	4	109.3863	0.257	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]O[6])(H)	C[6](C[5,6]N[5,6]C[6a]O[5])(C[6a]C[6a]2)(O[6]C[6])(OH){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	O(C[6]C[5,6]C[6a]O[6])(H)	111.8490	0.000	1	111.8490	0.000	1	111.8490	0.000	1	111.6090	1.868	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:S[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH)	C[6a](C[6]C[5,6]S[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]S[6])(H)	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(S[6]C[6,6a])(OH){3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]S[6]O)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[5,6]C[6a]S[6])(H)	112.8400	0.000	1	112.8400	0.000	1	112.8400	0.000	1	111.6090	1.868	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:1:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(H)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(OH){1|Ru<10>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(H)	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	111.6090	1.868	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]O[6])(CCHH)	C[6](C[5,6]C[5,6]S[5]O)(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,1|S<2>,2|H<1>,3|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CCHH)	113.7900	0.000	1	113.7900	0.000	1	113.7340	0.006	2	113.5397	0.858	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:4:	C[5,6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC)	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]O[6])(CH3)	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(OC){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]O)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5,6]C[6a]O[6])(CH3)	113.6780	0.000	1	113.6780	0.000	1	113.7340	0.006	2	113.5397	0.858	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:2:2:	4:3:3:	4:4:	C[6]-4:C[6a]-3:O[6]-2:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC)	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2	O(C[6]C[6a]C[6]O[6])(CH3)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6,6])(OC){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]O)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[6a]C[6]O[6])(CH3)	113.3455	1.555	2	113.3455	2.418	2	113.3455	2.418	2	113.5397	0.858	4	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:3:2:	3:3:4:	4:4:	C[6]-4:C[6a]-3:C[6]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]N)(OC){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	O(C[6]C[6a]C[6]2)(CCHH)	110.1417	0.495	3	110.1417	0.245	3	110.1417	0.245	3	110.1417	0.245	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(OH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5,6]C[6a]C[6])(H)	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<3>,2|C<4>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	109.4620	0.000	1	109.4620	0.000	1	109.9507	0.179	3	109.9507	0.179	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.2000	0.000	1	110.2000	0.000	1	109.9507	0.179	3	109.9507	0.179	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HS)(OH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	110.1900	0.000	1	110.1900	0.000	1	109.9507	0.179	3	109.9507	0.179	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,5|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	111.5680	0.000	1	111.5680	0.000	1	110.8635	0.993	2	110.6967	0.580	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[5,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N)	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	110.1590	0.000	1	110.1590	0.000	1	110.8635	0.993	2	110.6967	0.580	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:3:4:2:	4:3:3:	4:1:	C[6,6]-4:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(OH){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[6,6]C[6a]C[6])(H)	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.6967	0.580	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:4:3:2:	3:3:4:	4:1:	C[6]-4:C[6]-4:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O)	O(C[6]C[6a]C[6]2)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]ClH)(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2O){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[6a]C[6]2)(H)	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	112.9630	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]C[6])(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[5,6]HH)(C[6a]C[6a]2)(OH){3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6a]C[6])(H)	110.8540	0.132	2	110.8540	0.017	2	110.8540	0.017	2	110.5517	0.283	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:4:3:2:	4:3:3:	4:1:	C[6,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH)	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[6,6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(OH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]O)(C[6a]C[6a]H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	O(C[6]C[6,6]C[6a]C[6])(H)	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	110.5517	0.283	3	109.3847	7.437	272	109.5676	6.058	914
466	643	893	0:SP3_SP2_SP3	C[6]	C[6a]	O	4:4:3:2:	4:3:3:	4:4:	C[5,6]-4:C[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC)	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2	O(C[6]C[5,6]C[6a]C[6])(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(OC){2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6]C[5,6]C[6]O)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	O(C[6]C[5,6]C[6a]C[6])(CH3)	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	109.3847	7.437	272	109.5676	6.058	914
466	643	897	6:SP3_SP2_SP3	C[6]	C[6,6a]	O[4,6]	3:3:1:1:	3:4:3:	3:3:4:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Ge[4,6]-3:Ge[4,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){1|Br<1>,2|Ge<3>,1|C<3>,1|H<1>}	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH){1|C<4>,3|C<3>}	110.7520	0.000	1	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2
466	643	897	6:SP3_SP2_SP3	C[6]	C[6,6a]	O[4,6]	3:3:1:1:	3:4:3:	3:3:4:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	Ge[4,6]-3:Ge[4,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|C<4>,1|H<1>}	O[4,6](Ge[4,6]O[4,6]O[6])2(C[6]C[6,6a]HH){1|C<4>,3|C<3>}	110.2860	0.000	1	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2	110.5190	0.109	2
466	643	909	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	S	3:3:3:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	S(C[3x6]C[6,6,6a]3)(CCO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	S(C[3x6]C[6,6,6a]3)(CCO)	113.2267	2.958	6	113.2267	8.750	6	113.2267	8.750	6	113.2514	10.207	12	113.2514	10.207	12	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	S	3:3:3:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	S(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	S(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	113.2762	3.702	6	113.2762	13.703	6	113.2762	13.703	6	113.2514	10.207	12	113.2514	10.207	12	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6,6a]	S	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	S(C[6]C[6,6a]2H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	S(C[6]C[6,6a]2H)(C[6a]C[6a]2)	109.9185	1.281	2	109.9185	1.640	2	110.9117	1.862	4	110.9117	1.862	4	109.3824	15.381	13	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6,6a]	S	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	S(C[6]C[6,6a]2H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	S(C[6]C[6,6a]2H)(C[6a]C[6a]2)	111.9050	0.034	2	111.9050	0.001	2	110.9117	1.862	4	110.9117	1.862	4	109.3824	15.381	13	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6,6a]	S	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	106.8533	4.133	6	106.8533	17.085	6	106.8533	17.085	6	108.6787	23.633	8	109.3824	15.381	13	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6,6a]	S	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	S(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	114.1550	0.191	2	114.1550	0.036	2	114.1550	0.036	2	108.6787	23.633	8	109.3824	15.381	13	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6,6a]	S	3:4:2:4:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:S-2:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS)	S(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(SC[6a])(CH3){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CS){1|O<2>,2|C<3>,4|H<1>}	S(C[6]C[6,6a]C[6]C)(C[6a]C[6a]2)	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	108.8940	0.000	1	109.3824	15.381	13	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP2	C[6]	C[6a]	S	3:4:4:2:	3:3:4:	4:3:	C[6a]-3:C[6]-4:C[6]-4:S-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S)	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(SC[6a]){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2S){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	S(C[6]C[6a]C[6]2)(C[6a]C[6a]2)	108.4715	0.637	2	108.4715	0.406	2	108.4715	0.406	2	108.4715	0.406	2	108.4715	0.406	2	111.0345	15.571	27
466	643	909	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	S	3:3:3:2:	3:4:3:	4:4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:S-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H)	S(C[3x6]C[6,6,6a]3)(CC3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SC){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2S)(C[6a]C[6a]H){3|H<1>,5|C<3>}	S(C[3x6]C[6,6,6a]3)(CC3)	113.6082	4.848	6	113.6082	23.501	6	113.6082	23.501	6	113.6082	23.501	6	113.6082	23.501	6	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	S(C[6]C[6,6a]2H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	S(C[6]C[6,6a]2H)(CCHH)	108.5007	4.159	4	108.5007	17.299	4	108.5007	17.299	4	109.5040	8.675	8	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	S(C[6]C[6,6a]C[6]H)(CH3)	110.4890	0.000	1	110.5675	0.012	2	110.5072	0.259	4	109.5040	8.675	8	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	S(C[6]C[6,6a]C[6]H)(CH3)	110.6460	0.000	1	110.5675	0.012	2	110.5072	0.259	4	109.5040	8.675	8	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	S(C[6]C[6,6a]C[6]H)(CCHH)	110.4470	0.865	2	110.4470	0.749	2	110.5072	0.259	4	109.5040	8.675	8	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:4:2:	4:4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	S(C[6]C[6,6a]2H)(CCHH)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	S(C[6]C[6,6a]2H)(CCHH)	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:3:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	S(C[6]C[6,6a]2H)(CCHH)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	S(C[6]C[6,6a]2H)(CCHH)	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	106.9850	0.000	1	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	S(C[6]C[6,6a]C[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	S(C[6]C[6,6a]C[6]H)(CCHH)	113.8795	0.125	2	113.8795	0.016	2	113.8795	0.016	2	113.8795	0.016	2	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6,6a]	S	4:3:2:1:	3:4:3:	4:4:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	S(C[6]C[6,6a]C[6,6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	S(C[6]C[6,6a]C[6,6]H)(CC[6]HH)	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	110.2194	9.242	13	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6a]	S	3:3:4:2:	3:3:4:	4:4:	C[6]-3:C[6a]-3:C[6]-4:S-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	S(C[6]C[6a]C[6]2)(CCHH)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)(SC){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	S(C[6]C[6a]C[6]2)(CCHH)	114.4040	0.000	1	114.4040	0.000	1	114.4040	0.000	1	114.4040	0.000	1	112.8500	4.830	2	111.4381	14.240	21
466	643	909	0:SP3_SP2_SP3	C[6]	C[6a]	S	4:3:3:2:	3:3:4:	4:4:	C[6]-4:C[6]-3:C[6a]-3:S-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S)	S(C[6]C[6a]C[6]2)(CC[6a]CH)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(SC){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2S){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	S(C[6]C[6a]C[6]2)(CC[6a]CH)	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	111.2960	0.000	1	112.8500	4.830	2	111.4381	14.240	21
466	643	914	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	4:3:2:3:	4:3:3:	4:3:	C[6,6]-4:C[6,6]-3:N[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a])	C[3x6](C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[3x6]C[6a]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	110.0850	0.000	1	109.9050	0.468	4	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	4:4:2:3:	4:3:3:	4:3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a]){2|C<4>,4|C<3>,5|H<1>}	109.0170	0.000	1	109.0170	0.000	1	109.8450	0.681	3	109.8450	0.681	3	109.9050	0.468	4	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	4:4:2:3:	4:3:3:	4:3:	C[6,6]-4:C[6,6]-4:N[6,6]-2:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a])	C[3x6](C[6,6]C[3x6]HH)2(N[6,6]C[6,6])(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[3x6]C[6,6]2N[6,6])(C[6a]C[6a]H)2{2|C<3>,2|C<4>,6|H<1>}	N[6,6](C[3x6]C[6,6]2C[6a])(C[6,6]C[4x6]C[6a]){2|C<4>,4|C<3>,5|H<1>}	110.2590	0.577	2	110.2590	0.333	2	109.8450	0.681	3	109.8450	0.681	3	109.9050	0.468	4	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:2:	4:3:3:	4:3:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]N[5,6]N[6])(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]2N[5,6])(C[6]N[5a]N[6]){1|C<4>,7|C<3>}	110.8715	0.374	2	110.8715	0.140	2	110.8715	0.140	2	110.8715	0.140	2	110.3643	0.842	3	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S){1|C<4>,2|H<1>,3|C<3>}	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	109.3500	0.000	1	110.3643	0.842	3	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	2:3:4:4:	4:3:3:	4:4:	N[6,6]-2:C[6a]-3:P[6]-4:P[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2	C[6a](C[6,6]N[6,6]P[6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6a]P[6]2)2	C[6,6](N[6,6]C[6,6])(C[6a]C[6a]2)(P[6]O[6]OO)2{2|H<1>,2|P<4>,3|C<3>}	C[6a](C[6,6]N[6,6]P[6]2)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>,4|O<2>}	N[6,6](C[6,6]C[6a]P[6]2)2{4|C<3>,4|O<1>,6|O<2>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	3:3:3:2:	4:3:2:	4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6,6a]C[6]N[6])(C[6a]C[6a]H)(N[6a]C[6a]){1|O<1>,2|H<1>,5|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a]){1|N<2>,1|O<1>,8|C<3>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:2:1:	4:3:3:	4:3:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	113.2340	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:2:4:	4:3:3:	4:3:	C[6a]-3:N[6]-2:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(CFHH){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6a]C[6]){1|H<1>,5|C<3>}	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	111.3150	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:3:1:	3:3:4:	3:4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H){1|C<4>,6|C<3>}	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	111.4960	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	3:4:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){6|C<3>}	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:3:4:	4:3:2:	3:4:	C[6a]-3:N[6]-2:C[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]C){1|H<1>,2|N<2>,4|C<3>}	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:4:1:	4:3:3:	3:4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,5|C<3>}	114.9190	0.000	1	114.9190	0.000	1	113.3757	2.021	3	113.3757	2.021	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:4:1:	4:3:3:	3:4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	113.0880	0.000	1	113.0880	0.000	1	113.3757	2.021	3	113.3757	2.021	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:4:1:	4:3:3:	3:4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,3|H<1>,4|C<3>}	112.1200	0.000	1	112.1200	0.000	1	113.3757	2.021	3	113.3757	2.021	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	110.9230	0.000	1	110.9230	0.000	1	109.7310	9.412	3	109.7310	9.412	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	112.0240	0.000	1	112.0240	0.000	1	109.7310	9.412	3	109.7310	9.412	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,6|C<3>}	106.2460	0.000	1	106.2460	0.000	1	109.7310	9.412	3	109.7310	9.412	3	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,5|C<3>}	108.2540	0.000	1	108.2540	0.000	1	111.1868	4.140	8	111.1166	3.667	9	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]N){1|H<1>,3|C<3>}	112.0680	1.426	6	112.0680	2.035	6	111.1868	4.140	8	111.1166	3.667	9	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S){2|H<1>,3|C<3>}	108.8320	0.000	1	108.8320	0.000	1	111.1868	4.140	8	111.1166	3.667	9	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,4|C<3>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,6|C<3>}	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	111.1166	3.667	9	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	112.7485	0.279	2	112.7485	0.078	2	112.7485	0.078	2	112.7485	0.078	2	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	3:4:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,5|C<3>}	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	109.8770	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	108.7430	0.000	1	108.7430	0.000	1	108.1315	0.748	2	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	107.5200	0.000	1	107.5200	0.000	1	108.1315	0.748	2	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	111.7870	0.000	1	111.7870	0.000	1	109.8955	2.241	6	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|H<1>,4|C<3>}	107.6210	0.000	1	109.3455	5.948	2	109.8955	2.241	6	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){4|C<3>}	111.0700	0.000	1	109.3455	5.948	2	109.8955	2.241	6	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	109.6317	0.658	3	109.6317	0.433	3	109.8955	2.241	6	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	N[6](C[6]N[5a,6]C[6a]H)(C[6]C[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	N[6](C[6]N[5a,6]C[6a]H)(C[6]C[6]C){1|H<1>,4|C<3>}	112.2330	0.602	2	112.2330	0.363	2	112.2330	0.363	2	110.0102	3.260	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH){1|N<3>,5|C<3>}	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	109.6280	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:3:	3:3:4:	4:3:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6a]C[6]){1|C<4>,3|H<1>,4|C<3>}	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	108.4140	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:3:	4:3:3:	4:4:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO){4|C<3>}	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:4:	4:3:3:	4:3:	C[6]-3:C[6a]-3:N[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6])(CC3){1|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]N[6]Cl){1|H<1>,1|N<2>,3|C<3>}	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	106.5060	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:4:	4:3:3:	4:4:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]P)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO){4|C<3>}	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	111.4470	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	3:3:4:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H){4|H<1>,7|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	114.3500	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	3:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|C<4>,1|H<1>,5|C<3>}	110.5370	0.000	1	110.6237	0.282	3	110.6740	0.287	6	110.6740	0.287	6	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	3:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|H<1>,2|C<4>,4|C<3>}	111.1930	0.000	1	110.6237	0.282	3	110.6740	0.287	6	110.6740	0.287	6	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	3:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|H<1>,2|C<4>,4|C<3>}	110.1410	0.000	1	110.6237	0.282	3	110.6740	0.287	6	110.6740	0.287	6	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	3:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H){1|C<4>,1|N<3>,5|C<3>}	111.3710	0.000	1	111.3710	0.000	1	110.6740	0.287	6	110.6740	0.287	6	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	3:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[5,6]N[5,6a]N[5,6])(C[6]C[6a]C[6]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	110.4010	0.478	2	110.4010	0.228	2	110.6740	0.287	6	110.6740	0.287	6	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	112.0100	0.000	1	112.0100	0.000	1	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]){1|C<4>,2|H<1>,4|C<3>}	112.5475	0.240	2	112.5475	0.057	2	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	109.5680	0.000	1	110.3007	0.645	3	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S){3|C<3>,3|H<1>}	110.6670	0.696	2	110.3007	0.645	3	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	109.2610	0.000	1	109.2610	0.000	1	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]N[6]C)	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]C){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.7215	0.260	2	112.7215	0.067	2	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	111.4260	0.000	1	111.4260	0.000	1	111.4137	1.790	10	111.4137	1.790	10	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:1:	4:3:3:	4:4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]H)2{1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	108.8590	0.000	1	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H)	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]S[6]N){1|C<4>,2|C<3>,2|H<1>}	110.1455	1.925	2	110.1455	3.707	2	110.4115	1.744	4	110.4115	1.744	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C){1|C<4>,2|C<3>,2|H<1>}	109.8900	0.000	1	110.6775	1.240	2	110.4115	1.744	4	110.4115	1.744	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:2:4:	4:3:3:	4:3:	C[6a]-3:C[6]-4:N[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(CHHI){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]C){1|C<4>,2|C<3>,2|H<1>}	111.4650	0.000	1	110.6775	1.240	2	110.4115	1.744	4	110.4115	1.744	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	3:4:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	113.9330	0.000	1	113.9330	0.000	1	113.9330	0.000	1	112.0405	7.163	2	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	3:4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-3:C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	N[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	112.0405	7.163	2	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:3:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C)	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[5,6]C){1|C<4>,2|N<3>,4|C<3>}	108.6210	0.000	1	108.6210	0.000	1	108.6210	0.000	1	110.3537	1.335	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6a]O[6]){1|H<1>,2|C<4>,4|C<3>}	110.9630	0.000	1	110.9630	0.000	1	110.9535	0.000	2	110.3537	1.335	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:3:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H){3|C<3>,3|H<1>,3|N<3>,3|O<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O){1|C<4>,1|H<1>,4|C<3>}	110.9440	0.000	1	110.9440	0.000	1	110.9535	0.000	2	110.3537	1.335	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:3:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H){1|H<1>,1|N<3>,4|C<3>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	110.3537	1.335	4	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)2	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6a]C[6]H)2{1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	111.2355	5.729	2	110.8434	3.430	68	110.7256	3.207	77
466	643	914	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:2:1:	4:3:3:	4:4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<1>,1|S<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO){1|H<1>,1|O<1>,4|C<3>}	112.9280	0.000	1	112.9280	0.000	1	112.9280	0.000	1	111.2355	5.729	2	110.8434	3.430	68	110.7256	3.207	77
466	643	914	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:2:1:	4:3:3:	3:4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[5,6,6]-3:C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H){1|H<1>,1|S<2>,5|C<3>}	107.1810	0.292	4	107.1810	0.085	4	107.1810	0.085	4	107.1810	0.085	4	107.1574	0.067	5	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	4:3:2:1:	4:3:2:	4:3:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[3x6]-4:C[6,6]-3:	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	N[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]O)	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.0630	0.000	1	107.1574	0.067	5	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:3:3:2:	3:3:4:	4:3:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6])	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6a]C[6a]N[6a])(C[6]C[6,6a]O)(N[6]C[6]){1|C<4>,1|H<1>,7|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6a]C[6]N[6]){1|N<2>,1|O<1>,9|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6]C[6,6]C[6a]){1|N<2>,1|O<1>,8|C<3>}	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	116.1250	0.000	1	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:2:	3:4:3:	4:3:	C[6,6a]-3:C[6]-3:C[6]-3:N[6]-2:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6])	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)2(N[6]C[6]){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2N[6])(C[6a]C[6a]H){3|H<1>,6|C<3>}	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6,6a]N){2|H<1>,5|C<3>}	115.7390	0.000	1	115.7390	0.000	1	115.7390	0.000	1	115.7390	0.000	1	115.7390	0.000	1	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:1:1:	3:3:4:	4:3:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]H){2|C<3>,2|C<4>}	116.6680	0.000	1	116.6680	0.000	1	115.0750	5.075	2	115.0750	5.075	2	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:1:1:	3:3:4:	4:3:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]O[6]){4|C<3>}	113.4820	0.000	1	113.4820	0.000	1	115.0750	5.075	2	115.0750	5.075	2	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:1:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH){1|H<1>,4|C<3>}	114.2385	0.189	2	114.2385	0.036	2	114.2385	0.036	2	114.2385	0.036	2	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:2:1:	3:3:4:	4:3:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]HO)(C[6]C[6a]N[6]){1|C<4>,4|C<3>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:4:1:	3:3:4:	3:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6,6a]CH){4|C<3>}	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	113.5330	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:4:1:	3:3:4:	4:4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO){2|C<3>}	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.3490	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:2:4:4:	3:3:4:	4:4:	C[6,6a]-3:N[6]-2:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(CF3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO)	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[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|S<4>,2|H<1>}	N[6](C[6]C[6,6a]CC)(S[6]O[6]OO){2|C<3>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|O<2>,6|C<3>}	110.7840	0.000	1	112.0250	3.080	2	112.0250	3.080	2	112.0250	3.080	2	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,6|C<3>}	113.2660	0.000	1	112.0250	3.080	2	112.0250	3.080	2	112.0250	3.080	2	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){4|C<3>}	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:3:	3:4:3:	4:4:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO){4|C<3>}	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	111.5140	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:4:	3:4:3:	4:4:	C[6,6a]-3:C[6a]-3:N[6]-2:P-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(PO3){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]P)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6,6a]C[6a]P)(S[6]O[6]OO){4|C<3>}	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	111.7080	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|C<4>,1|H<1>,4|C<3>}	114.3270	0.000	2	114.0207	0.282	3	114.0207	0.282	3	114.0207	0.282	3	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6]){1|H<1>,1|N<3>,4|C<3>}	113.4080	0.000	1	114.0207	0.282	3	114.0207	0.282	3	114.0207	0.282	3	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]S){1|C<4>,2|H<1>,4|C<3>}	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	109.2570	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	914	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:2:1:	3:4:3:	4:4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]C[6]H)(S[6]O[6]OO){1|H<1>,2|C<3>,2|C<4>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.8139	2.892	18	111.9321	8.729	25
466	643	921	0:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	Se	3:3:3:2:	3:4:3:	4:3:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Se-2:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a])	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H)	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(SeC[6a]){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Se)(C[6a]C[6a]H){3|H<1>,5|C<3>}	Se(C[3x6]C[6,6,6a]3)(C[6a]C[6a]2)	113.1616	3.296	18	113.1616	10.861	18	113.1616	10.861	18	113.1616	10.861	18	113.1616	10.861	18	113.1616	10.861	18
466	643	922	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	3:3:2:1:	3:3:4:	4:4:1:	C[6a]-3:S[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	S[6](C[6]C[6a]S[6]H)(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	109.7810	0.000	1	110.1006	1.379	5	110.1006	1.379	5
466	643	922	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O)	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	S[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(O){1|H<1>,6|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	110.1006	1.379	5	110.1006	1.379	5
466	643	922	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	3:3:3:1:	4:3:3:	4:4:1:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O){1|H<1>,1|N<3>,4|C<3>}	109.6855	1.931	2	109.8213	1.920	3	109.8213	1.920	3	109.8213	1.920	3	110.1006	1.379	5	110.1006	1.379	5
466	643	922	0:SP3_SP2_SP3	C[6]	C[6a]	S[6]	3:3:3:1:	4:3:3:	4:4:1:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-1:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	S[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(O){2|H<1>,4|C<3>}	110.0930	0.000	1	109.8213	1.920	3	109.8213	1.920	3	109.8213	1.920	3	110.1006	1.379	5	110.1006	1.379	5
466	643	922	6:SP3_SP2_SP3	C[6]	C[6,6a]	S[6]	3:3:1:1:	3:3:4:	4:2:1:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	S[6](C[6]C[6,6a]HH)(S[6]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	S[6](C[6]C[6,6a]HH)(S[6]C[6])(O){2|C<3>,2|H<1>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	111.9205	0.501	2	111.9205	0.501	2
466	643	922	6:SP3_SP2_SP3	C[6]	C[6,6a]	S[6]	3:3:1:1:	3:3:4:	4:3:1:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){2|C<3>,2|H<1>,2|O<1>}	S[6](C[6]C[6,6a]HH)(C[6]C[6]N)(O){1|O<1>,2|C<3>}	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	112.4210	0.000	1	111.9205	0.501	2	111.9205	0.501	2
466	643	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	Br	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H)	Br(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(Br){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2Br)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	Br(C[3x6]C[6,6,6a]3)	112.4257	0.668	6	112.4257	0.446	6	112.4257	0.446	6	112.4257	0.446	6	112.1806	0.646	14	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	Br	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	Br(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(Br){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	Br(C[3x6]C[6,6,6a]2C[5,6,6])	112.4032	0.507	4	112.4032	0.258	4	112.4032	0.258	4	112.4032	0.258	4	112.1806	0.646	14	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	Br	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:Br-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	Br(C[3x6]C[6,6,6a]2C[5,3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(Br){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]Br)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	Br(C[3x6]C[6,6,6a]2C[5,3x6])	111.5905	1.070	4	111.5905	1.145	4	111.5905	1.145	4	111.5905	1.145	4	112.1806	0.646	14	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	Br(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	Br(C[6]C[6,6a]C[6]H)	108.2807	1.261	3	108.2807	1.590	3	108.2807	1.590	3	109.0978	2.431	5	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	Br(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	Br(C[6]C[6,6a]C[6]H)	109.4470	0.000	1	110.3235	1.537	2	110.3235	1.537	2	109.0978	2.431	5	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	Br(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	Br(C[6]C[6,6a]C[6]H)	111.2000	0.000	1	110.3235	1.537	2	110.3235	1.537	2	109.0978	2.431	5	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H)	Br(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	Br(C[6]C[6,6a]C[6,6]H)	108.1890	0.000	1	108.1890	0.000	1	108.1890	0.000	1	110.2285	8.319	2	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H)	Br(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	Br(C[6]C[6,6a]C[6]H)	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	110.2285	8.319	2	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	Br(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	Br(C[6]C[6,6a]C[6,6]H)	108.7737	1.067	6	108.7737	1.139	6	108.6713	0.738	19	108.6713	0.738	19	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	Br(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	Br(C[6]C[6,6a]C[6,6]H)	108.5829	1.052	7	108.5829	1.106	7	108.6713	0.738	19	108.6713	0.738	19	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	Br(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	Br(C[6]C[6,6a]C[6,6]H)	108.6720	0.409	6	108.6720	0.167	6	108.6713	0.738	19	108.6713	0.738	19	108.8451	1.415	28	109.9570	3.669	42
466	643	924	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Br	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	Br(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	Br(C[6]C[6,6a]C[6,6]H)	108.4820	1.377	2	108.4820	1.897	2	108.4820	1.897	2	108.4820	1.897	2	108.8451	1.415	28	109.9570	3.669	42
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	3:4:3:	4:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:H-1:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)(O)	113.1361	5.618	16	113.1361	31.561	16	113.3233	20.977	24	113.3957	19.107	30	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	3:4:3:	4:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:H-1:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O)	C(C[3x6]C[6,6,6a]3)(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(CHO){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(H)(O)	113.6979	1.026	8	113.6979	1.053	8	113.3233	20.977	24	113.3957	19.107	30	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	3:4:3:	4:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O-1:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(O)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){2|H<1>,6|C<3>}	C(C[3x6]C[6,6,6a]3)(O)2	113.6850	3.768	6	113.6850	14.199	6	113.6850	14.199	6	113.3957	19.107	30	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(OC)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(OC)(O)	113.5262	3.011	6	113.5262	9.067	6	113.5262	9.067	6	113.5262	9.067	6	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	3:4:3:	4:2:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:O-2:O-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]3)(ORh)2	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(COO){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2C)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]3)(ORh)2	113.6145	3.410	36	113.6145	11.631	36	113.6145	11.631	36	113.6145	11.631	36	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:3:3:	4:3:3:	4:1:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:H-1:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	C(C[3x6]C[6,6,6a]2C[6,6])(H)(O)	112.2495	2.070	2	112.2495	4.284	2	112.2495	4.284	2	112.2495	4.284	2	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:O-2:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]2C[5,6,6])(OC)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C(C[3x6]C[6,6,6a]2C[5,6,6])(OC)(O)	112.5365	5.055	2	112.5365	25.554	2	112.5365	25.554	2	112.5365	25.554	2	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:4:3:3:	3:4:3:	4:4:1:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C-4:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(CCO){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2C)(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	C(C[3x6]C[6,6,6a]C[6,6]2)(CH3)(O)	111.8887	1.682	3	111.8887	2.831	3	111.8887	2.831	3	111.8887	2.831	3	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	3:4:4:3:	3:4:3:	4:3:1:	C[6,6,6a]-3:C[6,6]-4:C[3x6]-4:C-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	C(C[3x6]C[6,6,6a]C[3x6]C[6,6])(C[6a]C[6a]2)(O)	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(CC[6a]O){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	114.8590	0.000	1	114.8590	0.000	1	114.8590	0.000	1	113.9773	1.923	3	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	4:3:3:3:	4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C-3:H-1:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(CCH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,3|H<1>,4|C<3>}	C(C[3x6]C[6,6,6a]2C[5,3x6])(CHH)(H)	113.5365	1.637	2	113.5365	2.680	2	113.5365	2.680	2	113.9773	1.923	3	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C	4:3:4:3:	4:3:3:	4:3:1:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:C-3:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:O-1:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(CC[6a]O){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,5|H<1>}	C(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])(C[6a]C[6a]2)(O)	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	115.4200	0.000	1	113.4537	12.824	84	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C	3:4:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6,6]-4:C[6]-4:C-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:O-2:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO)	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6,6]C[6,6a]C[6,6]C[6])(OC)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HH)(COO){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[6,6]C[6,6a]C[6,6]C[6])(OC)(O)	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.7200	0.000	1	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:2:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C(C[6]C[6,6a]O[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(OC)(O)	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:2:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6a]O[6]H)(CHH)(H)	110.5220	0.000	1	112.6263	3.322	3	112.6263	3.322	3	112.6263	3.322	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:2:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	C(C[6]C[6,6a]O[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	C(C[6]C[6,6a]O[6]H)(CHH)(H)	113.6785	0.040	2	112.6263	3.322	3	112.6263	3.322	3	112.6263	3.322	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:2:3:2:	3:3:4:	4:3:1:	C[6,6a]-3:O[6]-2:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO)	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CC[6a]O)(OH){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CO){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6]C[6,6a]O[6]O)(C[6a]C[6a]2)(O)	113.2990	0.000	2	113.2990	0.000	2	113.2990	0.000	2	113.2990	0.000	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:2:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:2:3:	3:4:3:	4:3:1:	C[6,6a]-3:C[5a]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(O[6]C[6,6a])(CCH){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]O[6]C)(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[5a]O[6])(CC[6a]H)(H)	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	109.0790	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:2:3:	3:4:3:	4:3:3:	C[6,6a]-3:C[6]-3:O[6]-2:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir)	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O[6]C[6])(CC[6a]C){1|Ir<8>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]C)(C[6a]C[6a]Ir){1|N<3>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]O[6])(C[6a]C[6a]2)(CC[6a]H)	115.0470	0.000	1	115.0470	0.000	1	115.0470	0.000	1	115.0470	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	109.6720	0.000	1	109.6720	0.000	1	109.1330	0.581	2	110.8697	5.542	4	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	108.5940	0.000	1	108.5940	0.000	1	109.1330	0.581	2	110.8697	5.542	4	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(OC)(O)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	C(C[6]C[6,6a]N[6]H)(OC)(O)	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	110.8697	5.542	4	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(OC)(O)	111.1960	0.000	1	111.1960	0.000	1	111.1960	0.000	1	110.8697	5.542	4	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	112.2265	1.357	2	112.2265	1.841	2	110.2927	12.140	3	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)	106.4250	0.000	1	106.4250	0.000	1	110.2927	12.140	3	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5,5,6]S[5])(O)	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]2)(H)	111.0860	0.000	1	111.0860	0.000	1	111.0860	0.000	1	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(CHH)(H)	111.4370	0.000	1	111.4370	0.000	1	112.1207	0.872	6	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CHH)(H)	111.0010	0.000	1	111.0010	0.000	1	112.1207	0.872	6	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CCH)(H)	112.5715	0.780	4	112.5715	0.609	4	112.1207	0.872	6	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	111.9810	0.000	1	111.9810	0.000	1	111.0016	3.814	5	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(NCH)(O)	113.8990	0.000	1	113.8990	0.000	1	111.0016	3.814	5	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]H)(O)	108.9980	0.000	1	108.9980	0.000	1	111.0016	3.814	5	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NCH)(O)	109.8070	0.000	1	109.8070	0.000	1	111.0016	3.814	5	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]N[6]H)(NC[6]C)(O)	110.3230	0.000	1	110.3230	0.000	1	111.0016	3.814	5	111.2814	3.447	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(COO)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(COO)(NN)	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	112.4880	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	110.7575	4.691	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	109.2260	0.000	1	109.2260	0.000	1	109.2260	0.000	1	110.7575	4.691	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:3:4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:P-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6]C[6]2)(PO3)	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	112.3510	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:4:2:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]H)(PO3)(NN)	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:3:4:	4:4:3:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P[6]-4:C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(P[6]O[6]2O)(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6]C[6,6a]C[6]H)(P[6]O[6]2O)(C[6]C[6]2)	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	112.1310	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]2H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(OC)(O)	113.6320	1.793	2	113.6320	3.216	2	110.9712	7.745	8	110.6563	8.020	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]2H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(OC)(O)	110.8075	2.845	2	110.8075	8.092	2	110.9712	7.745	8	110.6563	8.020	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]2H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(OH)(O)	109.7227	2.736	4	109.7227	7.486	4	110.9712	7.745	8	110.6563	8.020	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]2H)(SC[6a])(O)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	C(C[6]C[6,6a]2H)(SC[6a])(O)	109.8235	4.803	2	109.8235	23.072	2	109.8235	23.072	2	110.6563	8.020	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(COO)(Cl){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H){1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]Cl)(OC)(O)	109.8020	0.000	1	109.8020	0.000	1	109.8020	0.000	1	110.6563	8.020	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	C(C[6]C[6,6a]2H)(CCC)(H)	110.6890	1.261	2	111.1397	0.825	4	111.1397	0.825	4	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	C(C[6]C[6,6a]2H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(CCC)(H)	111.5905	0.268	2	111.1397	0.825	4	111.1397	0.825	4	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]2H)(NHN)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]2H)(NHN)(O)	108.8615	2.061	2	108.8615	4.249	2	108.8615	4.249	2	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[5,6]H)(CHH)(H)	111.4125	0.172	2	111.4125	0.030	2	111.4125	0.030	2	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	C(C[6]C[6,6a]N[5,6]H)(NCH)(O)	113.3600	1.195	2	113.3600	1.428	2	113.3600	1.428	2	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6,6]H)(NCH)(O)	112.1510	0.000	1	112.1510	0.000	1	112.1510	0.000	1	111.2707	2.940	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(OH){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	108.0920	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCO)(OC){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]O)(CCH)(O)	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	110.6780	5.333	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO)	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN[6]O)(OH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CO){3|C<3>,3|H<1>}	C(C[6]C[6,6a]N[6]O)(N[6]C[6]2)(O)	112.0070	0.260	2	112.0070	0.068	2	112.0070	0.068	2	110.6780	5.333	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2C)(CCH)(CCO)	110.8015	0.011	2	110.3360	0.363	8	109.9848	0.897	10	109.9848	0.897	10	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCH)(CCO)	110.0445	0.469	2	110.3360	0.363	8	109.9848	0.897	10	109.9848	0.897	10	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]2C)(CCH)(CCO)	110.2490	0.749	4	110.3360	0.363	8	109.9848	0.897	10	109.9848	0.897	10	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6,6a]-3:C-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(CCH)2	C[6](C[6,6a]C[6,6a]C[6a])2(CCC)(CN){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(CCH)2	108.5800	0.778	2	108.5800	0.605	2	109.9848	0.897	10	109.9848	0.897	10	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C(C[6]C[6,6a]N[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(COO)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(O)	109.5640	2.745	2	109.5640	7.535	2	109.5640	7.535	2	109.5640	7.535	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	C[6](C[5,6]C[5,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(COO)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	108.7725	0.030	2	108.7725	0.001	2	108.7725	0.001	2	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[5a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(N[6]C[6]H)(COO){1|O<1>,1|O<2>,1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]N[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C(C[6]C[6,6a]C[5a]N[6])(OC)(O)	107.2650	0.000	1	107.2650	0.000	1	107.2650	0.000	1	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	104.7870	0.000	1	104.7870	0.000	1	109.3422	13.965	6	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	107.8595	0.233	2	107.8595	0.054	2	109.3422	13.965	6	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	107.7050	0.000	1	107.7050	0.000	1	109.3422	13.965	6	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	113.9210	0.106	2	113.9210	0.011	2	109.3422	13.965	6	108.9848	9.205	9	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:3:3:	3:4:3:	4:3:1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a,6]C[6a]C)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<2>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	110.3910	0.000	1	110.9120	0.543	2	110.0098	2.584	5	110.0250	2.068	6	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CC){1|C<2>,3|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	111.4330	0.000	1	110.9120	0.543	2	110.0098	2.584	5	110.0250	2.068	6	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	109.7365	2.536	2	109.7365	6.433	2	110.0098	2.584	5	110.0250	2.068	6	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(COO){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	108.7520	0.000	1	108.7520	0.000	1	110.0098	2.584	5	110.0250	2.068	6	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C(C[6]C[6,6a]N[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHS)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]N[6]C)(OC)(O)	110.1010	0.000	1	110.1010	0.000	1	110.1010	0.000	1	110.0250	2.068	6	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CH3)(CCH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(CCH)(H)	111.9270	0.330	2	111.9270	0.109	2	111.9270	0.109	2	111.5887	0.398	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(CCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]N[6]C)(CCH)(H)	110.9120	0.000	1	110.9120	0.000	1	110.9120	0.000	1	111.5887	0.398	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){3|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(OC)(O)	105.8420	1.181	2	105.8420	1.394	2	107.7879	2.929	12	107.9322	2.956	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(OC)(O)	107.7965	2.081	2	107.7965	4.331	2	107.7879	2.929	12	107.9322	2.956	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(OC)(O)	108.1610	2.068	4	108.1610	4.278	4	107.7879	2.929	12	107.9322	2.956	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]2C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(CH3)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CC)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]2C)(OC)(O)	108.3835	1.171	4	108.3835	1.372	4	107.7879	2.929	12	107.9322	2.956	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O)	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]C)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	109.6630	0.000	1	109.6630	0.000	1	109.6630	0.000	1	107.9322	2.956	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	4:3:3:	4:1:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:H-1:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(H)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CHO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(H)(O)	107.9616	0.819	11	107.9616	0.671	11	107.9616	0.671	11	107.9616	0.671	11	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(OC)(O)	110.1629	1.593	8	110.1629	2.538	8	110.0137	1.721	16	110.0137	1.721	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(COO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(OH)(O)	109.8645	1.048	8	109.8645	1.099	8	110.0137	1.721	16	110.0137	1.721	16	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:3:4:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:C-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO)	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C(C[6]C[6,6a]2C[6])(CBrHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(CCO){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	C(C[6]C[6,6a]2C[6])(CBrHH)(O)	108.9145	0.158	2	108.9145	0.025	2	108.9145	0.025	2	108.9145	0.025	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF)	C(C[6]C[6,6a]C[6]F)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(F){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]F)(OH)(O)	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	110.1200	0.000	1	110.1200	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	111.7950	0.000	1	111.7950	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	107.7640	0.000	1	107.7640	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	110.4600	0.744	2	110.4600	0.553	2	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	107.8470	0.000	1	107.8470	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	112.4900	0.000	1	112.4900	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	110.4320	0.000	1	110.4320	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	112.9485	1.776	2	112.9485	3.153	2	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	114.7210	0.000	1	111.1475	11.945	4	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	109.9563	3.067	3	111.1475	11.945	4	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	111.7090	0.000	1	113.9170	8.300	4	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	114.6530	3.033	3	113.9170	8.300	4	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	108.8150	0.000	1	108.8150	0.000	1	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(OC)(O)	109.5743	1.388	3	109.5743	1.927	3	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(OH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(OH)(O)	112.3047	1.330	3	112.3047	1.769	3	111.2790	6.355	25	111.4281	6.210	27	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:2:2:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:C-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	C(C[6]C[6,6a]N[6]H)(CN)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]N[6]H)(CN)2	114.1110	0.692	2	114.1110	0.478	2	114.1110	0.478	2	114.1110	0.478	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	112.1010	0.000	1	112.1010	0.000	1	112.1010	0.000	1	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C(C[6]C[6,6a]C[6]H)(CCC)(H)	111.8927	0.947	3	111.8927	0.897	3	111.8927	0.897	3	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	111.5930	0.000	1	111.5930	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	110.9950	0.000	1	110.9950	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHN)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CHN)(H)	113.3910	0.000	1	113.3910	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,2|C<2>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	114.6890	0.000	1	114.6890	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	112.3230	0.000	1	112.3230	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	115.2625	0.630	2	115.2625	0.397	2	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	112.0390	0.000	1	112.0390	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	112.9950	0.000	1	112.9950	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	111.5420	0.000	1	111.5420	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	112.4080	0.000	1	112.4080	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(CC[6a]H)(H)	108.9360	0.219	2	108.9360	0.048	2	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)	112.5980	0.000	1	112.5980	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(CHH)(H)	112.7830	0.000	1	112.7830	0.000	1	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	C(C[6]C[6,6a]C[6]H)(CCC)(H)	111.6170	0.981	3	111.6170	0.962	3	112.2558	3.205	18	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[5]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	113.2250	0.000	1	112.5435	0.929	2	112.5435	0.929	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[5]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[5]C[5]N[5])(H)	111.8620	0.000	1	112.5435	0.929	2	112.5435	0.929	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	107.8230	0.000	1	107.8230	0.000	1	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	109.1180	0.000	1	109.1180	0.000	1	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	112.1270	0.000	1	112.1270	0.000	1	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	112.1000	0.000	1	112.1000	0.000	1	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	109.8090	0.000	1	111.1603	1.441	3	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	111.5690	0.000	1	111.1603	1.441	3	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O)	112.1030	0.000	1	111.1603	1.441	3	110.6641	3.047	7	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(NCH)(O)	109.7770	0.000	1	109.7770	0.000	1	109.6325	0.042	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(NCH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6]H)(NCH)(O)	109.4880	0.000	1	109.4880	0.000	1	109.6325	0.042	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(O)	108.9410	0.816	2	108.9410	0.666	2	108.9410	0.666	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6]H)(CCH)(H)	110.7940	0.492	2	110.7940	0.242	2	110.7940	0.242	2	111.5366	3.212	37	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:3:3:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	115.7680	0.318	2	115.7680	0.101	2	115.7680	0.101	2	115.7680	0.101	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CCHH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C(C[6]C[6,6a]C[6]H)(CCHH)(O)	110.5965	1.022	2	110.5965	1.044	2	111.3103	2.051	3	111.3103	2.051	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	C(C[6]C[6,6a]C[6]H)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[6]C[6,6a]C[6]H)(CH3)(O)	112.7380	0.000	1	112.7380	0.000	1	111.3103	2.051	3	111.3103	2.051	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	115.1420	0.000	1	115.1420	0.000	1	114.1385	2.014	2	112.6700	7.476	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	113.1350	0.000	1	113.1350	0.000	1	114.1385	2.014	2	112.6700	7.476	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:2:1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[6,6]H)(OC)(O)	109.7330	0.000	1	109.7330	0.000	1	109.7330	0.000	1	112.6700	7.476	3	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CC[6a]H)(H)	115.0235	1.059	2	115.0235	1.121	2	111.7620	4.526	11	112.0456	4.611	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	113.4670	0.000	1	113.4670	0.000	1	111.7620	4.526	11	112.0456	4.611	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CCH)(H)	110.7335	1.281	8	110.7335	1.642	8	111.7620	4.526	11	112.0456	4.611	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6,6]H)(CHH)(H)	115.0760	0.000	1	115.0760	0.000	1	115.0760	0.000	1	112.0456	4.611	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:3:1:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	112.1350	0.000	1	112.1350	0.000	1	112.1350	0.000	1	112.0456	4.611	13	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:1:	3:4:3:	4:4:3:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CH3)(CHH)	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	114.7880	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	113.1440	0.000	1	112.1730	1.886	2	111.7940	2.899	8	111.7940	2.899	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(COO)(OH){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	111.2020	0.000	1	112.1730	1.886	2	111.7940	2.899	8	111.7940	2.899	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(COO)(OH){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	110.9288	1.936	4	110.9288	3.747	4	111.7940	2.899	8	111.7940	2.899	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	112.8050	0.000	1	112.8050	0.000	1	111.7940	2.899	8	111.7940	2.899	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(OH){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){2|Cl<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C(C[6]C[6,6a]C[6]O)(OC)(O)	113.4860	0.000	1	113.4860	0.000	1	111.7940	2.899	8	111.7940	2.899	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(OH){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|C<3>,1|N<2>,2|H<1>,3|C<4>}	C(C[6]C[6,6a]C[6]O)(CCH)(H)	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	112.4360	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:2:	3:3:4:	4:4:1:	C[6,6a]-3:C[6]-4:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO)	C(C[6]C[6,6a]C[6]O)(CH3)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(OH){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CO){1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]O)(CH3)(O)	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	106.1550	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]CC){1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	109.8115	0.398	2	109.8115	0.158	2	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	112.0445	2.374	2	111.9140	9.027	4	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(COO)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	111.7835	4.624	2	111.9140	9.027	4	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	110.8282	2.125	4	110.8203	5.658	6	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){3|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	110.8045	3.840	2	110.8203	5.658	6	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CC){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	111.9105	1.592	2	111.9105	2.534	2	111.1444	5.061	14	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C(C[6]C[6,6a]C[6]N)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]N)(OC)(O)	108.7100	0.000	1	108.7017	1.586	3	108.7017	1.586	3	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:N-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN)	C(C[6]C[6,6a]C[6]N)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[6]C[6,6a]C[6]N)(OC)(O)	108.6975	1.781	2	108.7017	1.586	3	108.7017	1.586	3	110.7134	5.232	17	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[5]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]O)(CN[5]O){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2C){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]2)(N[5]C[5]2)(O)	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	111.1170	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	107.3450	2.681	2	107.3450	7.190	2	110.1946	8.758	5	110.7721	8.022	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CC){2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	112.0943	0.623	3	112.0943	0.388	3	110.1946	8.758	5	110.7721	8.022	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(OC)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(COO){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CC){2|C<4>,3|C<3>,5|H<1>}	C(C[6]C[6,6a]C[6]C)(OC)(O)	111.7347	2.887	3	111.7347	8.336	3	111.7347	8.336	3	110.7721	8.022	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6,6a]-3:C[6]-4:C-4:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC)	C(C[6]C[6,6a]C[6]C)(CHH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(CCH){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6]C)(CHH)(H)	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	108.5390	0.000	1	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	109.8730	0.000	1	109.8730	0.000	1	110.7950	1.700	2	110.7950	1.700	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	3:4:4:3:	3:4:3:	4:2:1:	C[6,6a]-3:C[5,6]-4:C-4:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CH3)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6,6a]C[5,6]C)(OC)(O)	111.7170	0.000	1	111.7170	0.000	1	110.7950	1.700	2	110.7950	1.700	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:2:1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	111.0110	0.000	1	112.4915	4.384	2	112.4915	4.384	2	112.4915	4.384	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:2:1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6,6a]C[5,6]H)(OC)(O)	113.9720	0.000	1	112.4915	4.384	2	112.4915	4.384	2	112.4915	4.384	2	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	112.0180	0.000	1	112.0180	0.000	1	112.5495	0.565	2	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[5,6]H)(CHH)(H)	113.0810	0.000	1	113.0810	0.000	1	112.5495	0.565	2	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	108.4250	0.000	1	108.4250	0.000	1	111.9980	5.756	6	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	115.4130	0.000	1	112.7027	6.432	3	111.9980	5.756	6	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	110.3870	0.000	1	112.7027	6.432	3	111.9980	5.756	6	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	112.3080	0.000	1	112.7027	6.432	3	111.9980	5.756	6	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6,6a]	C	4:3:3:1:	3:4:3:	4:3:1:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O)	112.7275	0.773	2	112.7275	0.597	2	111.9980	5.756	6	112.1359	4.258	8	110.8578	5.383	271	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:2:2:3:	3:3:4:	4:3:1:	C[6a]-3:O[6]-2:O[6]-2:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C)	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2C){2|H<1>,3|C<3>}	C(C[6]C[6a]O[6]2)(CC[6a]2)(H)	114.6755	3.051	2	114.6755	9.310	2	114.6755	9.310	2	114.6755	9.310	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:2:2:3:	4:3:3:	4:3:1:	C[6a]-3:S[6]-2:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH)	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(O[6]C[6])(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]O[6]S[6]C)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	C(C[6]C[6a]O[6]S[6])(CC[6a]2)(H)	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	114.0850	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:2:3:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	C(C[6]C[6a]N[6]2)(CCC)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(CCH){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){1|C<4>,2|C<3>,3|H<1>}	C(C[6]C[6a]N[6]2)(CCC)(H)	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:2:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6])(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	113.0370	0.000	1	113.0370	0.000	1	113.0370	0.000	1	110.9030	9.108	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:2:3:	4:3:3:	4:2:1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]N[6]O[6])(OC)(O)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(O[6]C[6])(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	C(C[6]C[6a]N[6]O[6])(OC)(O)	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	110.9030	9.108	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)(CHO){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C(C[6]C[6a]C[6]2)(H)(O)	107.6610	0.474	2	107.6610	0.224	2	107.6610	0.224	2	107.6610	0.224	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	3:3:4:	4:2:1:	C[6]-3:C[6a]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)(COO){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<1>,2|H<1>,4|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	110.9838	1.191	6	110.9838	1.419	6	110.9838	1.419	6	110.9838	1.419	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2(CCH){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6]C[6a]C[6]2)(CCH)(H)	113.1465	0.190	2	113.1465	0.036	2	113.1465	0.036	2	113.1465	0.036	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	113.2240	0.000	1	111.8237	1.930	3	110.7147	2.782	6	110.7147	2.782	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(COO){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	111.1235	0.958	2	111.8237	1.930	3	110.7147	2.782	6	110.7147	2.782	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(COO){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	110.9370	0.000	1	110.9370	0.000	1	110.7147	2.782	6	110.7147	2.782	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(COO){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	C(C[6]C[6,6a]C[6a]N[6])(OC)(O)	108.9400	0.116	2	108.9400	0.013	2	110.7147	2.782	6	110.7147	2.782	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]H)(CCH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|O<1>,3|C<3>,3|H<1>}	C(C[6]C[6a]C[6]N[6])(CC[6a]H)(H)	111.7580	0.000	1	111.7580	0.000	1	111.7580	0.000	1	111.3545	0.326	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:3:3:	4:3:3:	4:3:1:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH)	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[5,6,6a]C[6a])(C[6a]C[6a]2)(CCH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	C(C[6]C[6,6a]N[5a,6]C[6a])(CCC)(H)	110.9510	0.000	1	110.9510	0.000	1	110.9510	0.000	1	111.3545	0.326	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-3:C[6]-4:C-3:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[5,6]O)(C[6]C[6]CC)(CHO){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C(C[6]C[6a]C[6]2)(H)(O)	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O)	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[5,6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	106.8125	1.358	2	106.8125	1.845	2	109.6822	8.458	5	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	109.8560	0.000	1	111.5953	2.269	3	109.6822	8.458	5	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(COO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(OC)(O)	112.4650	0.000	2	111.5953	2.269	3	109.6822	8.458	5	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	C[6,6a]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO)	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CO)(COO){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]C)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[6,6a]C[6a]C[6])(OC)(O)	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	N[3,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO)	C[6a](C[6]N[3,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]N[3,6]C[6a]C[6])(OC)(O)	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]O[6]HH)(COO){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]N[3,6]C[6]C)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(C[6]N[3,6]C[6a]C[6])(OC)(O)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	112.9450	0.000	1	112.9450	0.000	1	110.9065	8.311	2	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:2:1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	108.8680	0.000	1	108.8680	0.000	1	110.9065	8.311	2	110.4143	6.376	9	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:O-2:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	109.9630	0.363	2	109.9630	0.132	2	110.2330	0.285	3	110.2330	0.285	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:3:4:3:	4:3:3:	4:3:2:	C[5a,6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-3:O-2:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO)	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(CCO){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]C)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6a]C[6])(CHH)(OC)	110.7730	0.000	1	110.7730	0.000	1	110.2330	0.285	3	110.2330	0.285	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:2:3:	4:3:3:	4:3:1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:2:3:	4:3:3:	4:4:1:	C[6a]-3:C[6]-4:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H)	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(CCO){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]O[6])(CCHH)(O)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(COO){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C(C[6]C[6a]C[6]2)(OC)(O)	109.3910	0.000	1	109.3910	0.000	1	109.7585	0.270	2	109.1913	1.100	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(COO){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	110.1260	0.000	1	110.1260	0.000	1	109.7585	0.270	2	109.1913	1.100	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(COO){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	108.0570	0.000	1	108.0570	0.000	1	108.0570	0.000	1	109.1913	1.100	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-3:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(CCH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]2)(CCH)(H)	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	108.6000	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	3:4:3:	4:1:1:	C[6a]-3:C[3,6]-4:C[6]-3:C-3:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:H-1:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H)	C(C[6]C[3,6]C[6a]C[6])(H)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6]C[6]O)(CHO){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[3,6]C[6]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,5|C<4>}	C(C[6]C[3,6]C[6a]C[6])(H)(O)	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	102.8020	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	4:3:3:	4:1:1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:H-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(CHO){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(H)(O)	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:3:3:	4:3:3:	4:2:1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(COO){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	105.9895	0.776	2	105.9895	0.602	2	105.9895	0.602	2	105.9895	0.602	2	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:1:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:H-1:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CHO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(H)(O)	102.7850	0.000	1	102.7850	0.000	1	102.7850	0.000	1	102.7850	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(COO){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,3|C<4>,5|H<1>}	C(C[6]C[6a]C[6]2)(OH)(O)	106.6370	3.789	2	106.6370	14.354	2	106.6568	3.066	6	106.6568	3.066	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(COO){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	107.5200	0.000	1	107.5200	0.000	1	106.6568	3.066	6	106.6568	3.066	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){3|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	106.4110	0.033	2	106.3823	0.003	3	106.6568	3.066	6	106.6568	3.066	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	106.3250	0.000	1	106.3823	0.003	3	106.6568	3.066	6	106.6568	3.066	6	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:2:2:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OFe)2	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(COO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(OFe)2	104.2650	2.047	3	104.2650	4.191	3	104.2650	4.191	3	104.2650	4.191	3	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(CHH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(CCH){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C(C[6]C[6a]C[6]2)(CHH)(H)	109.4380	0.000	1	109.4380	0.000	1	109.4380	0.000	1	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,1|N<2>,2|C<4>,5|H<1>}	C(C[6]C[6a]C[6]2)(C[6a]C[6a]2)(O)	106.7000	0.000	1	106.7000	0.000	1	106.7000	0.000	1	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(NHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(NHH)(O)	110.2310	0.448	2	110.2310	0.201	2	108.9109	6.197	8	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(NHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(NHH)(O)	110.3690	0.724	3	110.3690	0.524	3	108.9109	6.197	8	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(NHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(NHH)(O)	109.8250	0.000	1	109.8250	0.000	1	108.9109	6.197	8	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:3:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(NHH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CNO){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<3>,2|C<4>,6|H<1>}	C(C[6]C[6a]C[6]2)(NHH)(O)	104.9465	0.035	2	104.9465	0.001	2	108.9109	6.197	8	108.7425	5.363	10	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	3:4:4:3:	3:3:4:	4:4:1:	C[6a]-3:C[6]-4:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(CH3)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(CCO){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|C<4>,2|C<3>,6|H<1>}	C(C[6]C[6a]C[6]2)(CH3)(O)	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	105.3670	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]O[6])(OC)(O)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(O[6]C[6])(COO){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(OC)(O)	105.6820	0.000	1	105.6820	0.000	1	107.4820	9.135	5	107.4820	9.135	5	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:2:3:	4:3:3:	4:2:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]O[6])(OC)(O)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(COO){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(OC)(O)	107.9320	3.291	4	107.9320	10.830	4	107.4820	9.135	5	107.4820	9.135	5	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:2:3:	4:3:3:	4:3:1:	C[6]-4:C[6a]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O-1:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O)	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]C)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C(C[6]C[6a]C[6]O[6])(C[6a]C[6a]2)(O)	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:3:3:	4:3:3:	4:2:1:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	C(C[6]C[6a]C[6]N[6])(OC)(O)	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(COO){3|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	C(C[6]C[6a]C[6]N[6])(OC)(O)	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	104.8680	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:4:3:	3:3:4:	4:2:1:	C[6]-4:C[6a]-3:C[6]-4:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O-2:O-1:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C)	C(C[6]C[6a]C[6]2)(OC)(O)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2C){1|O<2>,3|C<3>,5|H<1>}	C(C[6]C[6a]C[6]2)(OC)(O)	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	108.3870	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:3:4:3:	4:3:3:	4:2:1:	C[5,6]-4:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO)	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)2	C(C[6]C[5,6]C[6a]C[6])(OC)(O)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(COO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]C)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	C(C[6]C[5,6]C[6a]C[6])(OC)(O)	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	108.7380	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	930	0:SP3_SP2_SP2	C[6]	C[6a]	C	4:4:3:3:	4:3:3:	4:2:1:	C[5,6]-4:C[5,6]-4:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O-2:O-1:	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO)	C[6a](C[6]C[5,6]2C)(C[6a]C[6a]H)2	C(C[6]C[5,6]2C[6a])(OH)(O)	C[6](C[5,6]C[5,6]C[5]H)2(C[6a]C[6a]2)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]2C)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	C(C[6]C[5,6]2C[6a])(OH)(O)	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	109.0721	9.544	78	111.0413	9.361	434
466	643	940	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	P	3:3:4:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:P-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	112.3440	1.464	2	111.9703	1.037	4	111.9703	1.037	4	112.4779	3.944	8	112.4779	3.944	8	112.4779	3.944	8
466	643	940	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	P	3:3:4:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:P-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(PP){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	P(C[3x6]C[6,6,6a]2C[5,6,6])(PC[6a])	111.5965	0.640	2	111.9703	1.037	4	111.9703	1.037	4	112.4779	3.944	8	112.4779	3.944	8	112.4779	3.944	8
466	643	940	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	P	3:3:4:2:	4:3:3:	4:2:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:P-2:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:P-2:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(PP){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]P)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	P(C[3x6]C[6,6,6a]2C[6,6])(PC[6a])	112.9855	2.735	4	112.9855	7.478	4	112.9855	7.478	4	112.4779	3.944	8	112.4779	3.944	8	112.4779	3.944	8
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	110.2150	0.000	1	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	N(C[6]C[6,6a]2H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2H)(CCO)	108.8110	5.479	2	108.8110	30.016	2	109.6955	12.147	4	109.6955	12.147	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:3:2:1:	3:4:3:	4:3:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	N(C[6]C[6,6a]2H)(CC[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]2H)(CC[5,6]O)	110.5800	1.816	2	110.5800	3.297	2	109.6955	12.147	4	109.6955	12.147	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	N(C[6]C[6,6a]C[5,6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	N(C[6]C[6,6a]C[5,6]H)(NN)	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	108.5279	11.488	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	N(C[6]C[6,6a]C[6]H)(NN)	108.0810	3.832	6	108.0810	14.686	6	108.0810	14.686	6	108.5279	11.488	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:2:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	N(C[6]C[6,6a]C[6]H)(NN)	108.8210	0.000	1	108.8210	0.000	1	108.8210	0.000	1	108.5279	11.488	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(CCO)	108.0140	0.000	1	108.0140	0.000	1	108.0140	0.000	1	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	111.0190	0.000	1	111.0190	0.000	1	109.5260	1.831	5	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[5a]H)	110.1780	0.099	2	110.1780	0.010	2	109.5260	1.831	5	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]2)	107.7260	0.000	1	107.7260	0.000	1	109.5260	1.831	5	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	N(C[6]C[6,6a]C[6]H)(CC[6a]H)	108.5290	0.000	1	108.5290	0.000	1	109.5260	1.831	5	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:3:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)	109.6230	0.267	2	109.6230	0.071	2	109.6230	0.071	2	109.3612	1.355	8	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	111.2870	0.000	1	111.2870	0.000	1	108.9463	4.431	4	108.9463	4.431	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)	110.1460	0.000	1	110.1460	0.000	1	108.9463	4.431	4	108.9463	4.431	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)	107.4080	0.000	1	107.1760	0.108	2	108.9463	4.431	4	108.9463	4.431	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6,6a]	N	3:4:2:1:	3:3:4:	4:4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	N(C[6]C[6,6a]C[6]H)(SO3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	N(C[6]C[6,6a]C[6]H)(SO3)	106.9440	0.000	1	107.1760	0.108	2	108.9463	4.431	4	108.9463	4.431	4	109.1158	6.065	25	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6a]	N	3:4:3:2:	3:3:4:	4:2:	C[6a]-3:C[6]-4:C[6]-3:N-2:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-2:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(CS)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(NC){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2N){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	N(C[6]C[6a]C[6]2)(CS)	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	107.2470	0.000	1	110.1340	7.484	3	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6a]	N	4:3:3:2:	3:3:4:	4:1:	C[6]-4:C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C-1:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N)	N(C[6]C[6a]C[6]2)(C)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(NC){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2N){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	N(C[6]C[6a]C[6]2)(C)	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.4670	0.000	1	110.1340	7.484	3	109.2249	6.048	28
466	643	941	0:SP3_SP2_SP2	C[6]	C[6a]	N	4:4:3:2:	4:3:3:	4:2:	C[6,6]-4:C[6]-4:C[6a]-3:N-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N-2:	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN)	C[6a](C[6]C[6,6]C[6]N)(C[6a]C[6a]H)2	N(C[6]C[6,6]C[6a]C[6])(NN)	C[6](C[6,6]N[6,6]C[6]O)(C[6]C[6,6a]HO)(C[6a]C[6a]2)(NN){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]N)(C[6a]C[6a]H)2{1|N<3>,2|O<2>,3|C<3>,3|H<1>}	N(C[6]C[6,6]C[6a]C[6])(NN)	112.6880	0.000	1	112.6880	0.000	1	112.6880	0.000	1	112.6880	0.000	1	110.1340	7.484	3	109.2249	6.048	28
466	643	942	0:SP3_SP-NON_SP2	C[6]	C[6a]	Ga[6]	3:4:3:1:	4:3:3:	4:3:4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2{1|Ga<3>,1|C<4>,2|C<3>,4|H<1>}	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1
466	643	944	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	I	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:I-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H)	I(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(I){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2I)(C[6a]C[6a]H){3|H<1>,5|C<3>}	I(C[3x6]C[6,6,6a]3)	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6])(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	111.9260	0.038	3	111.9260	0.001	3	111.9260	0.001	3	111.9260	0.001	3	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[5a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5987	0.080	4	113.5987	0.006	4	113.5987	0.006	4	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[5a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,1|S<2>,7|C<3>}	H(C[3x6]C[6,6,6a]3)	112.0100	0.000	1	112.0100	0.000	1	112.1935	0.067	2	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6,6a]2H){1|H<1>,1|N<2>,8|C<3>}	H(C[3x6]C[6,6,6a]3)	112.3770	0.000	1	112.3770	0.000	1	112.1935	0.067	2	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6a,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H){2|H<1>,8|C<3>}	H(C[3x6]C[6,6,6a]3)	112.4450	0.000	1	112.4450	0.000	1	112.4450	0.000	1	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])(C[3x6]C[6,6]2H){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.8590	0.040	2	112.8590	0.002	2	113.9910	3.845	3	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])(C[3x6]C[6,6]2H){3|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	116.2550	0.000	1	116.2550	0.000	1	113.9910	3.845	3	113.3200	1.416	10	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a,6a]){1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1144	0.080	5	113.1144	0.006	5	113.2460	0.055	7	113.2460	0.055	7	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:2:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:N[6a]-2:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]N[6a])(C[3x6]C[6,6,6a]2H)(N[6a]C[6a]){1|C<2>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5750	0.013	2	113.5750	0.000	2	113.2460	0.055	7	113.2460	0.055	7	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[3x6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3x6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])2(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]2)	112.8455	0.127	2	112.8455	0.016	2	112.8455	0.016	2	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(C[6,6]C[5,6,6]C)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	115.3690	0.000	1	115.3690	0.000	1	114.2790	0.903	3	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[4x6]C[6])(C[6,6]C[6,6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	113.7340	0.151	2	113.7340	0.023	2	114.2790	0.903	3	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])2(C[6,6,6a]C[6,6,6a]C[6a])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5795	0.074	2	113.5795	0.006	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.3980	0.000	1	112.3980	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	H(C[3x6]C[6,6,6a]3)	112.4310	0.000	1	112.4310	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2544	0.238	7	113.2581	0.045	14	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6,6a]C[6,6,6a]N[6a])(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2619	0.204	7	113.2581	0.045	14	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.2260	0.178	6	112.4762	0.076	24	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.6086	0.250	15	112.4762	0.076	24	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a,6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.3147	0.013	3	112.4762	0.076	24	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[5a]C[6a]){1|N<2>,1|S<2>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0980	0.000	1	113.0980	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0657	0.038	4	113.0329	0.013	13	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0207	0.154	4	113.0329	0.013	13	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]C){1|C<4>,1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0164	0.140	5	113.0329	0.013	13	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9480	0.076	4	113.0208	0.037	6	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]N){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1665	0.325	2	113.0208	0.037	6	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<2>,1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1372	0.054	4	113.2445	0.018	12	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2795	0.042	2	113.2445	0.018	12	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6,6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3043	0.152	6	113.2445	0.018	12	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9540	0.000	1	113.0495	0.018	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1450	0.000	1	113.0495	0.018	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6,6a]O){1|H<1>,1|O<2>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.4245	0.063	2	113.4245	0.004	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8573	1.682	14	112.7731	1.241	31	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	112.7037	0.134	17	112.7731	1.241	31	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9605	0.207	2	112.9605	0.043	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]2){2|H<1>,8|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8905	0.180	6	112.8905	0.032	6	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Br){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9465	0.368	6	112.9465	0.135	6	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|N<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0045	0.111	2	113.0975	1.491	11	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.4708	0.258	4	113.0975	1.491	11	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|Ge<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8350	0.000	1	113.0975	1.491	11	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){1|H<1>,2|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	116.6900	0.000	1	113.0975	1.491	11	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){4|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8853	0.008	3	113.0975	1.491	11	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]C[5]){1|Ir<6>,2|H<1>,2|N<3>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0530	0.123	2	113.0530	0.015	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]Cl){1|Cl<1>,1|Si<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.7480	0.000	1	112.7480	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9585	0.400	6	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Br<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9883	0.388	6	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0458	0.101	18	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3625	0.311	4	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.5900	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.1035	1.336	4	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5173	0.031	4	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3665	0.195	8	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0012	0.166	18	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8918	0.041	6	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3190	0.215	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1890	0.108	4	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1795	0.073	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2199	0.165	43	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9810	1.004	28	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2778	0.133	12	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0403	0.087	31	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9974	0.238	10	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8929	0.270	32	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0236	0.187	13	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9913	0.133	12	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|H<1>,2|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9580	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|I<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2340	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2095	0.046	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<5>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0290	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1697	0.111	4	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ir<6>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1997	0.086	3	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|N<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1292	0.239	52	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0372	0.211	46	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.5160	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|P<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.6590	0.426	7	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2190	0.055	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Pt<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3132	0.022	5	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0970	0.023	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ru<6>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0470	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1940	0.046	3	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9931	0.061	15	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Se<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0231	0.078	18	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9587	0.288	23	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0476	0.638	167	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.6000	0.035	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Si<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.7950	0.059	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.4480	0.238	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	114.5440	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	104.6850	0.000	1	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Ge<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8665	0.015	2	113.0392	0.322	628	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0590	0.000	1	112.9880	0.005	4	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|C<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9905	0.071	2	112.9880	0.005	4	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N){1|N<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.9120	0.000	1	112.9880	0.005	4	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.4780	0.000	1	113.4537	0.005	3	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5100	0.000	1	113.4537	0.005	3	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a])	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]N[6a]){1|H<1>,1|O<2>,2|N<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3730	0.000	1	113.4537	0.005	3	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3058	0.338	6	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5160	0.035	2	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	112.8993	0.055	3	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1396	0.184	7	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pd<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1680	0.192	2	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){1|Pt<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.2440	0.000	1	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|O<2>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]3)	113.3088	0.069	6	113.2213	0.057	27	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<3>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.1440	0.000	1	113.0318	0.280	8	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|H<1>,2|P<4>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]P){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0157	0.570	7	113.0318	0.280	8	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]Cl){1|H<1>,1|N<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5900	0.000	1	113.5900	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]N[6a]O){1|H<1>,1|N<2>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.5905	0.057	2	113.5905	0.003	2	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	113.0643	0.105	4	113.0643	0.011	4	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	114.1420	0.000	1	114.1420	0.000	1	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	110.4010	0.000	1	110.5698	0.024	9	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,1|C<4>,1|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	110.4230	0.000	1	110.5698	0.024	9	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])3(H){1|P<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6,6a]2H)(C[6a]C[6a]H){1|Rh<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]3)	110.6149	0.145	7	110.5698	0.024	9	113.0023	0.403	824	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]H)(C[6,6]C[6,6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.3580	0.000	1	113.3580	0.000	1	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Se<3>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.9780	0.000	1	112.9780	0.000	1	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br)(C[6,6]C[6,6]H)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.2975	0.073	2	113.2975	0.005	2	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8800	0.000	1	110.8800	0.000	1	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.7915	2.309	2	112.7915	5.330	2	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<3>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.5740	0.000	1	110.4202	0.047	6	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4740	0.320	2	110.4202	0.047	6	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pd<5>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4840	0.000	1	110.4202	0.047	6	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H)	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C)2(H){2|Si<4>,1|H<1>,1|P<4>,2|C<3>}	C[6,6,6a](C[6,6,6a]P[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Pt<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.2575	0.214	2	110.4202	0.047	6	111.6858	2.328	13	112.9861	0.462	842	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	113.8317	0.216	15	113.8317	0.047	15	114.0069	0.076	42	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]C[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	113.7429	0.082	7	113.7429	0.007	7	114.0069	0.076	42	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6,6]-3:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	C[3x6](C[5a,6,6]C[5a,6,6]N[5a])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5a,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[3x6]C[5a,6,6]C[6,6,6a]2)	114.2307	0.158	20	114.2307	0.025	20	114.0069	0.076	42	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|B<3>,1|N<3>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2B[6,6])	113.0920	0.051	4	113.0920	0.003	4	113.0944	0.003	8	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2B[6,6])	113.1445	0.057	2	113.0968	0.004	4	113.0944	0.003	8	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]N)(H){1|C<4>,2|H<1>,2|N<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2B[6,6])	113.0490	0.014	2	113.0968	0.004	4	113.0944	0.003	8	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.6213	0.038	4	113.4593	0.053	24	113.4199	0.090	25	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.5096	0.189	16	113.4593	0.053	24	113.4199	0.090	25	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.0960	0.053	4	113.4593	0.053	24	113.4199	0.090	25	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[5x6]Si[6])(H){2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[5x6]C[6a])(C[6a]C[6a]H){1|Si<4>,1|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	112.4740	0.000	1	112.4740	0.000	1	113.4199	0.090	25	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5])(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	113.7305	0.137	4	113.7305	0.019	4	113.7305	0.019	4	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5919	0.162	15	112.5913	0.023	17	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<3>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5870	0.008	2	112.5913	0.023	17	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1480	0.004	2	113.0017	0.017	6	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9895	0.056	2	113.0017	0.017	6	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8675	0.016	2	113.0017	0.017	6	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5395	0.066	2	112.5395	0.004	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]2)(H){1|P<4>,2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8821	0.063	7	112.8821	0.004	7	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|Cl<1>,1|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Cl){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	115.2870	0.057	2	115.2870	0.003	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8820	0.000	1	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0535	0.037	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0730	1.058	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9619	0.828	7	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.3150	0.120	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Pd<4>,1|H<1>,1|P<4>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.4520	0.028	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6965	0.968	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.8565	4.510	4	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9685	0.047	2	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.3640	0.806	16	112.6496	2.339	40	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6])(H){1|Ru<9>,1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.4870	0.044	2	113.4870	0.002	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6828	0.179	16	112.6822	0.025	20	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6660	0.031	2	112.6822	0.025	20	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a])(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Te<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6930	0.004	2	112.6822	0.025	20	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0515	0.183	2	112.9952	0.016	4	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5])	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[5]){1|Fe<10>,2|H<1>,3|C<4>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9390	0.049	2	112.9952	0.016	4	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0660	0.112	2	113.0660	0.012	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9465	0.011	2	112.3220	0.963	8	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7032	1.107	4	112.3220	0.963	8	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9350	0.052	2	112.3220	0.963	8	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.3365	0.221	2	113.0486	0.113	78	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5279	0.161	16	113.0486	0.113	78	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.3855	0.074	2	113.0486	0.113	78	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1707	0.215	58	113.0486	0.113	78	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.3410	0.099	2	113.3410	0.010	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|C<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.1095	0.086	4	113.1095	0.007	4	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|O<1>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8833	0.022	4	112.9070	0.005	8	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|O<1>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.9308	0.100	4	112.9070	0.005	8	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.7845	0.112	12	112.8289	0.064	48	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.7037	0.173	8	112.8289	0.064	48	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.8242	0.253	24	112.8289	0.064	48	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]P)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.2413	0.338	4	112.8289	0.064	48	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9430	0.187	2	111.9430	0.035	2	112.8612	0.538	252	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]B)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.4735	0.019	2	112.4735	0.000	2	112.8537	0.078	12	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.9555	0.030	2	112.9555	0.001	2	112.8537	0.078	12	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	112.7745	0.288	4	112.9234	0.072	8	112.8537	0.078	12	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]C[5,6,6]O)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2N[6,6])	113.0722	0.160	4	112.9234	0.072	8	112.8537	0.078	12	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2P[4x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6])(H){1|Mo<9>,2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2P[4x6])	109.6762	0.175	4	109.6762	0.031	4	109.6762	0.031	4	113.0185	0.693	347	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]ClN)(H){1|Cl<1>,1|C<4>,1|N<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cl<1>,1|B<4>,1|N<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2B[6,6])	112.1813	0.107	4	112.1813	0.011	4	112.2690	0.026	6	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:B[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2B[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(B[6,6]B[6,6]NN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]B[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<3>,2|N<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2B[6,6])	112.4445	0.076	2	112.4445	0.006	2	112.2690	0.026	6	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]Cr)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Cr<9>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.8105	0.467	2	113.8105	0.218	2	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	110.5670	0.798	2	110.5670	0.636	2	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[3x6])	113.3848	2.707	6	112.4963	3.500	14	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	111.7053	0.104	4	112.4963	3.500	14	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	111.9125	0.634	2	112.4963	3.500	14	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]C[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[3x6])	111.9965	0.012	2	112.4963	3.500	14	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[3x6]C[3x6]N[5,6]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[3x6])	112.4761	0.111	16	112.4761	0.012	16	112.4506	1.739	34	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[4,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2C)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2C[4,6,6])	112.5198	0.272	4	112.5198	0.074	4	112.1511	0.199	8	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[4,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[4,6,6]C[4,6,6]2H)(H){1|C<2>,3|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[4,6,6])	111.7825	0.169	4	111.7825	0.028	4	112.1511	0.199	8	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.2743	0.944	51	112.3957	1.321	53	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	115.4925	2.063	2	112.3957	1.321	53	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]Si){1|Si<4>,1|C<4>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.3250	0.000	1	112.3250	0.000	1	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.3645	0.018	2	112.4062	0.004	4	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<2>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.4480	0.059	2	112.4062	0.004	4	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|F<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]F){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.6757	0.058	3	112.6757	0.003	3	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.3195	0.019	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.2040	0.020	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|F<1>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.2953	0.084	6	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.4133	0.401	4	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.5640	0.058	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.1820	0.014	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.4680	0.741	91	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.4139	1.063	17	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.2125	0.043	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<2>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	111.6565	0.016	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	111.0512	1.748	5	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.1740	0.013	4	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.2105	0.028	2	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.0410	0.040	3	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	111.9860	0.154	10	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]C[5]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	114.4560	0.000	1	112.3493	0.634	155	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[5,6,6]N[5]H)(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	112.3467	0.092	7	112.3467	0.008	7	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[5,6,6]C[6,6]C[5]2)(H){1|C<4>,2|H<1>,3|O<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[5,6,6])	111.9210	0.055	2	111.9210	0.003	2	112.3616	0.746	225	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[5,6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[5,3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.6505	0.104	4	111.6505	0.011	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a])	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C[6a]){1|C<4>,2|C<2>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.4295	0.021	2	111.4295	0.000	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,2|C<2>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	110.9865	0.508	2	110.9865	0.258	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,2|C<2>,2|C<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.0065	0.603	2	111.1882	0.167	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){2|C<2>,2|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|H<1>,2|C<2>,3|C<3>,3|C<4>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.3700	0.069	2	111.1882	0.167	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0585	0.032	2	111.9723	0.023	3	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8000	0.000	1	111.9723	0.023	3	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|P<2>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8320	0.029	4	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7979	0.229	27	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.3690	0.612	2	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9655	0.052	2	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ir<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.3965	0.009	2	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<6>,1|P<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8940	0.007	2	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9362	0.246	42	111.9067	0.069	81	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.7525	0.025	2	111.7525	0.001	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]C[6a]P[6])(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|P<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9170	0.027	2	111.9170	0.001	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0905	0.033	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8395	0.012	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.5090	0.348	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.8870	0.018	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	110.9313	1.213	4	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9385	0.633	4	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|Pt<4>,1|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Se<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0195	0.025	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,2|H<1>,5|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.5250	0.021	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9370	0.006	2	111.7770	0.491	22	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.4200	0.040	2	112.4200	0.002	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|C<4>,2|H<1>,2|P<4>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]P){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.2593	2.092	4	111.2593	4.378	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6450	1.390	7	112.1996	0.575	25	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.1185	0.119	8	112.1996	0.575	25	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|N<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9505	0.098	8	112.1996	0.575	25	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	111.9615	0.011	2	112.1996	0.575	25	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HO)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0155	0.036	2	112.0155	0.001	2	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,1|P<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.6260	0.172	4	112.4443	0.097	6	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]HP)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.0810	0.008	2	112.4443	0.097	6	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.4925	0.538	4	112.4925	0.290	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]N[5a]H)(H){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	113.0803	0.352	4	113.0803	0.124	4	111.9458	0.375	169	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:P[4x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H)	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2P[4x6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(P[4x6]C[3x6]P[4x6]Mo)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]P[4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mo<9>,1|C<4>,1|P<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2P[4x6])	110.6977	0.077	4	110.6977	0.006	4	110.6977	0.006	4	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:Si[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H)	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2Si[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(Si[6,6]Si[6,6]Si2)(H){2|Si<4>,1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]Si[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|Si<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]2Si[6,6])	112.6883	2.920	4	112.6883	8.529	4	112.6883	8.529	4	112.1953	0.765	450	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:3:5:1:	4:3:3:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[6,6]-5:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(C[6,6]C[6,6]MgHN)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Mg<6>,1|C<5>,1|N<3>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]2C[6,6])	112.4405	0.132	4	112.4405	0.017	4	112.4405	0.017	4	112.4405	0.017	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[4x6]O)(O[6,6]C[3x6])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[3x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[3x6]C[6,6,6a]C[3x6]O[6,6])	109.9975	0.021	2	109.9975	0.000	2	109.9975	0.000	2	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6])	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6,6a]C[6,6a]C[6]){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	111.0032	0.408	5	111.0032	0.166	5	111.0032	0.166	5	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.1210	0.000	1	109.9645	0.049	2	110.4390	0.112	8	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(O[6,6]C[6,6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	109.8080	0.000	1	109.9645	0.049	2	110.4390	0.112	8	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.3520	0.000	1	110.3520	0.000	1	110.4390	0.112	8	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.6573	0.142	4	110.6462	0.016	5	110.4390	0.112	8	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6,6]-2:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]O[6,6])	110.6020	0.000	1	110.6462	0.016	5	110.4390	0.112	8	110.5682	0.227	15	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6]2H)(C[6,6]C[6]2)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[6,6]2)	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	108.5650	0.000	1	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.2890	0.000	1	112.2890	0.000	1	112.3185	0.002	2	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[6a,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.3480	0.000	1	112.3480	0.000	1	112.3185	0.002	2	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1370	1.066	2	112.1370	1.137	2	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CN)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.0950	0.000	1	112.0950	0.000	1	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6,6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.4020	0.136	4	112.4020	0.018	4	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1800	0.000	1	112.1800	0.000	1	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6,6]O[6,6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.9330	0.000	1	111.9330	0.000	1	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[5]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.1680	0.000	1	112.1680	0.000	1	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6,6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.0310	0.000	1	112.0310	0.000	1	112.2081	0.148	11	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	112.4120	0.000	1	111.5030	1.653	2	111.4590	0.832	3	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.5940	0.000	1	111.5030	1.653	2	111.4590	0.832	3	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	111.3710	0.000	1	111.3710	0.000	1	111.4590	0.832	3	112.0814	0.306	16	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[3,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3,6,6]C[3,6,6]C[3]H)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[3,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[3,6,6]C[6,6])	112.5855	2.483	2	112.5855	6.164	2	112.5855	6.164	2	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[4,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6,6]C[4]H)(C[6,6]C[6,6]H)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[4,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[4,6,6]C[6,6])	112.6980	0.228	2	112.6980	0.052	2	112.6980	0.052	2	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.5475	0.173	2	112.5475	0.030	2	112.4397	0.023	6	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]C){1|C<4>,4|C<3>,4|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.3350	0.000	1	112.3350	0.000	1	112.4397	0.023	6	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.2230	0.000	1	112.2230	0.000	1	112.4397	0.023	6	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]H)(H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4925	0.013	2	112.4925	0.000	2	112.4397	0.023	6	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a,6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<4>,5|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	112.5104	0.645	11	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){3|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3860	0.000	1	110.3860	0.000	1	108.7130	2.119	3	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[5a,6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H)	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[5a,6,6a]C[6,6a])(C[6,6]C[6]2H)2(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>,5|C<4>}	C[6,6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6,6a]C[6a]O[6])(C[3x6]C[6,6]2H){2|H<1>,4|C<3>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]2)	107.8765	0.199	2	107.8765	0.039	2	108.7130	2.119	3	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]2)(C[3x6]C[6,6]2H){3|C<3>,4|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7307	0.171	6	110.7307	0.029	6	110.8016	0.052	12	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5,6a])(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5,6a]C[5,6a]C[5])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,7|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8725	0.271	6	110.8725	0.073	6	110.8016	0.052	12	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]2)(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1410	0.307	2	111.1410	0.094	2	110.9868	0.159	6	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]C[5a,6])(C[3x6]C[6,6]2H){1|S<2>,3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.3010	0.000	1	110.3010	0.000	1	110.9868	0.159	6	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[5a,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[5a,6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[5a,6a]C[5a,6a]S[5a])(C[3x6]C[6,6]2H){3|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1127	0.261	3	111.1127	0.068	3	110.9868	0.159	6	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7514	0.287	5	110.7210	0.054	10	111.0357	0.496	22	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6906	0.194	5	110.7210	0.054	10	111.0357	0.496	22	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){1|C<3>,1|S<2>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7310	0.361	3	110.7327	0.102	6	111.0357	0.496	22	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[6,6,6a]C[5a,6a]C[3x6])(C[3x6]C[6,6]2H){2|C<3>,5|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7343	0.353	3	110.7327	0.102	6	111.0357	0.496	22	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]HH)2(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])2(C[3x6]C[6,6]2H){1|C<3>,6|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.8633	0.869	6	111.8633	0.755	6	111.0357	0.496	22	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.9090	0.352	2	109.8207	0.085	3	109.8207	0.085	3	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6a]2)(C[6,6]C[6,6]HH)(C[6,6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[3x6]C[6,6]2H){2|C<3>,3|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.6440	0.000	1	109.8207	0.085	3	109.8207	0.085	3	110.7375	0.742	46	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[3x6]C[6,6])	110.6420	0.000	1	110.6420	0.000	1	110.6420	0.000	1	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[5,6,6]CH)(C[6,6]C[5,6,6]HH)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[5,3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6450	0.000	1	110.6450	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.7670	0.000	1	111.1330	0.804	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]Br2)(C[6,6]C[6,6]BrH)(H){2|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4990	0.000	1	111.1330	0.804	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1720	0.059	2	111.1720	0.004	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)(C[6,6]C[6,6]HH)(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.1020	0.000	1	111.1020	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]BrH)2(H){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){2|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	109.6900	0.000	1	109.6900	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.8960	0.000	1	110.8960	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CC)(C[6,6]C[6,6]CH)(H){1|C<4>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6650	0.000	1	110.6650	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6,6]N[6,6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.4180	0.000	1	110.4180	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]CrH)2(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|Cr<8>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	113.9250	1.590	2	113.9250	2.527	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]C[6,6]HO)(H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7060	0.025	2	110.7060	0.001	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]HH)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7010	0.000	1	110.7010	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.7140	0.000	1	110.7140	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	110.6070	0.000	1	110.6070	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0260	0.000	1	111.0130	0.000	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.0000	0.000	1	111.0130	0.000	2	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H)	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6,6,6a](C[6,6,6a]N[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	111.5370	0.000	1	111.5370	0.000	1	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F)	H(C[3x6]C[6,6,6a]C[6,6]2)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]IrH)2(H){1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]F){1|Ir<7>,1|C<3>,2|C<4>,2|F<1>,3|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]2)	112.9197	0.635	4	112.9197	0.403	4	111.4397	1.520	24	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-4:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6,6]C[6,6]CH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]C[6,6]N[6,6]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[3x6]C[6,6,6a]C[6,6]N[6,6])	110.8200	0.000	1	110.8200	0.000	1	110.8200	0.000	1	111.3852	1.436	26	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]H)(C[6,6]C[6,6]HW)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|W<7>,2|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	111.7690	0.163	2	111.7690	0.026	2	112.1237	1.226	6	112.1237	1.226	6	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]C[5]Ru)(C[6,6]C[6,6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	113.4965	0.035	2	113.4965	0.001	2	112.1237	1.226	6	112.1237	1.226	6	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6,6a]-3:C[5,6,6]-4:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[5,6,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]HO)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]C){1|C<2>,1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	111.1055	0.088	2	111.1055	0.008	2	112.1237	1.226	6	112.1237	1.226	6	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:2:1:	4:3:2:	4:	C[5,6,6]-4:C[6,6,6a]-3:N[6,6]-2:H-1:	C[3x6]-4:N[6,6,6a]-3:N[6a]-2:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a])	H(C[3x6]C[6,6,6a]C[5,6,6]N[6,6])	C[3x6](C[5,6,6]C[5,6a]C[5,5]C[6,6])(C[6,6,6a]N[6,6,6a]N[6a])(N[6,6]C[6,6])(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[5,6,6]N[6,6]H)(N[6,6,6a]C[3x6]C[6a])(N[6a]C[6a,6a]){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]C[5,6,6]N[6,6])	115.2400	0.000	1	115.2400	0.000	1	115.2400	0.000	1	115.2400	0.000	1	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[6,6])(H){1|O<2>,2|C<3>,4|C<4>,7|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.0280	0.000	1	110.0280	0.000	1	110.1672	0.033	5	110.1672	0.033	5	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.2100	0.000	1	110.2100	0.000	1	110.1672	0.033	5	110.1672	0.033	5	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.1715	0.319	2	110.1993	0.053	3	110.1672	0.033	5	110.1672	0.033	5	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:O[6,6]-2:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	C[3x6](C[5,3x6]C[5,4x6]C[5]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(O[6,6]C[3x6])(H){2|C<3>,2|O<2>,4|C<4>,6|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]O[6,6]H)(C[6,6,6a]C[4x6]C[6a])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[3x6]C[6,6,6a]C[5,3x6]O[6,6])	110.2550	0.000	1	110.1993	0.053	3	110.1672	0.033	5	110.1672	0.033	5	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[6,6,6a]-3:C[3x6]-4:C[6,6,6a]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6,6a]C[6,6,6a]2)(C[6,6]C[6,6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[3x6])(C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a]){3|C<4>,4|C<3>,5|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	112.3640	0.096	2	112.3640	0.009	2	112.3640	0.009	2	112.3640	0.009	2	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	B[5,5,6,6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]B[5,5,6,6]C[6,6,6a]2)	C[3x6](B[5,5,6,6]B[5,5,6,6]N[5,5]S[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]B[5,5,6,6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|B<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	H(C[3x6]B[5,5,6,6]C[6,6,6a]2)	113.1697	0.068	3	113.1697	0.005	3	113.1697	0.005	3	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6])(H){1|O<1>,3|H<1>,4|C<3>,4|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	112.3570	0.000	1	112.3570	0.000	1	112.3570	0.000	1	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|S<2>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,3x6])	111.4493	0.709	4	111.5274	0.408	5	111.5274	0.408	5	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5]S[6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,6|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,3x6])	111.8400	0.000	1	111.5274	0.408	5	111.5274	0.408	5	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O)	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6,6,6a]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	112.5715	2.003	4	112.5715	4.012	4	112.5715	4.012	4	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){1|Br<1>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.1075	0.021	2	112.1075	0.000	2	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){1|C<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.1870	0.124	2	112.1200	0.021	3	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]C){2|H<1>,3|C<4>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	111.9860	0.000	1	112.1200	0.021	3	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.1125	0.040	2	112.1838	0.010	27	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|C<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.1940	0.091	2	112.1838	0.010	27	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.2093	0.073	19	112.1838	0.010	27	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	111.9500	0.023	2	112.1838	0.010	27	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.2360	0.064	2	112.1838	0.010	27	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,4x6]C[3x6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,7|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.2520	0.079	2	112.2520	0.006	2	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	112.5055	1.044	4	112.5055	1.090	4	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]2C[5,4x6])	C[3x6](C[5,4x6]C[5,6,6a]2C[5,4x6])(C[6,6,6a]C[6,6,6a]C[6a])2(H){10|C<3>,1|C<4>,2|H<1>}	C[6,6,6a](C[3x6]C[6,6,6a]C[5,4x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[3x6]C[6,6,6a]2C[5,4x6])	111.4003	0.172	17	111.4003	0.030	17	111.9612	0.226	55	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br)	H(C[3x6]C[5,5,3x6]C[6,6,6a]2)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]Br){2|Br<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[3x6]C[5,5,3x6]C[6,6,6a]2)	112.0795	0.039	2	112.0795	0.002	2	112.0685	0.001	4	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,3x6]-4:C[6,6,6a]-3:C[6,6,6a]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H)	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[5,5,3x6]C[6,6,6a]2)	C[3x6](C[5,5,3x6]C[5,5,3x6]C[5,5,6]C[5])(C[6,6,6a]C[6,6,6a]C[6a])2(H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,4|C<4>,5|C<3>}	C[6,6,6a](C[3x6]C[5,5,3x6]C[6,6,6a]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[3x6]C[5,5,3x6]C[6,6,6a]2)	112.0575	0.045	2	112.0575	0.002	2	112.0685	0.001	4	112.0268	0.459	72	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	C[3x6](C[5,3x6]C[5,3x6]C[5,5,6]H)(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(H){1|O<1>,4|C<3>,4|C<4>,4|H<1>}	C[6,6,6a](C[3x6]C[5,3x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[3x6])	110.6890	0.000	1	110.6890	0.000	1	110.6890	0.000	1	112.2092	2.126	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,3x6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	C[3x6](C[5,3x6]C[5,3x6]C[6]O[5])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]O[6,6]HH)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[3x6]C[5,3x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[3x6]C[6,6,6a]C[5,3x6]C[6,6])	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	112.2092	2.126	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	C[3x6](C[5,6,6]C[5,6,6]C[5,6]Ru)(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]HH)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[3x6]C[5,6,6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|Ru<10>,1|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6,6a]C[5,6,6]C[6,6])	113.4570	0.023	2	113.4570	0.001	2	113.4570	0.001	2	112.2092	2.126	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a,6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	112.1440	0.071	2	112.1440	0.005	2	112.1340	0.003	3	112.1217	0.002	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H)	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6]H)(H){1|C<4>,2|C<3>,5|B<6>,6|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6,6,6a]C[6a,6a]C[3x6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	112.1140	0.000	1	112.1140	0.000	1	112.1340	0.003	3	112.1217	0.002	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,22x6]-6:C[6,6,6a]-3:C[6,6]-3:H-1:	C[3x6]-4:C[6a,6a]-3:C[6,6,6a]-3:	C[3x6]-4:	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H)	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a])	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	C[3x6](C[5x3,5x5,22x6]B[5x3,5x5,20x6]4C[5x3,5x5,22x6])(C[6,6,6a]C[6,6,6a]C[6a,6a])(C[6,6]C[6,6]H)(H){1|C<4>,3|C<3>,5|B<6>,5|H<1>}	C[6,6,6a](C[3x6]C[5x3,5x5,22x6]C[6,6]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6,6a]C[3x6]C[6a]){1|C<6>,4|B<6>,4|C<3>,4|H<1>}	H(C[3x6]C[5x3,5x5,22x6]C[6,6,6a]C[6,6])	112.0850	0.000	1	112.0850	0.000	1	112.0850	0.000	1	112.1217	0.002	4	112.6420	0.921	1872	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[3x6]-3:N[6,6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[3x6]C[6,6a]N[3x6]N[6,6])	C[3x6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[6,6])(N[6,6]C[6,6a]C[6])(H){2|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[3x6]N[3x6]N[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[3x6]C[6,6a]N[3x6]N[6,6])	107.8185	0.303	2	107.8185	0.092	2	107.8185	0.092	2	107.8185	0.092	2	107.9837	0.684	6	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[4x6]-4:C[6,6a]-3:O[6,6]-2:H-1:	C[5,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H)	H(C[3x6]C[6,6a]C[4x6]O[6,6])	C[3x6](C[4x6]C[5,6,6]C[6,6]C[6])(C[6,6a]C[5,6,6a]C[6a])(O[6,6]C[3x6])(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[3x6]C[4x6]O[6,6]H)(C[6a]C[6a]H){2|C<3>,2|H<1>,5|C<4>}	H(C[3x6]C[6,6a]C[4x6]O[6,6])	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	107.9837	0.684	6	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3x6]C[6,6a]C[4x6]C[6,6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[3x6]C[6,6a]C[4x6]C[6,6])	108.5115	0.196	2	108.5810	0.034	3	108.5810	0.034	3	108.5810	0.034	3	107.9837	0.684	6	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[3x6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[4x6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H)	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[3x6]C[6,6a]C[4x6]C[6,6])	C[3x6](C[4x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]HH)(H){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[3x6]C[6,6a]C[4x6]C[6,6])	108.7200	0.000	1	108.5810	0.034	3	108.5810	0.034	3	108.5810	0.034	3	107.9837	0.684	6	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6]C[6]C)(C[3x6]N[6,6]C[6]C)(H){1|C<4>,4|C<3>,7|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|H<1>,5|C<4>}	H(C[4x6]C[6,6,6a]C[3x6]2)	113.1240	0.000	1	113.1240	0.000	1	111.5143	1.945	3	111.5143	1.945	3	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.6720	0.000	1	110.7095	0.003	2	111.5143	1.945	3	111.5143	1.945	3	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[3x6]-4:C[3x6]-4:H-1:	C[6,6,6a]-3:C[4x6]-4:C[6a]-3:	C[4x6]-4:	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H)	H(C[4x6]C[6,6,6a]C[3x6]2)	C[4x6](C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]C[6,6a]C[6,6]C)(C[3x6]N[6,6]O[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[4x6]C[3x6]2H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[4x6]C[6,6,6a]C[3x6]2)	110.7470	0.000	1	110.7095	0.003	2	111.5143	1.945	3	111.5143	1.945	3	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H)	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[5,6a]H){1|C<3>,2|C<4>,3|H<1>,4|O<2>}	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	111.2470	0.000	1	111.2470	0.000	1	111.3462	0.024	4	111.3462	0.024	4	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){2|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	111.1930	0.000	1	111.1930	0.000	1	111.3462	0.024	4	111.3462	0.024	4	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[4x6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,4x6]-4:C[6,6,6a]-3:C[3x6]-4:H-1:	C[4x6]-4:C[6,6,6a]-3:C[6a]-3:	C[4x6]-4:	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H)	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O)	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	C[4x6](C[5,4x6]C[5,3x6]O[5,6]C[6])(C[6,6,6a]C[6,6,6a]C[6a])(C[3x6]O[6,6]O[6]H)(H){1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6,6,6a](C[4x6]C[5,4x6]C[3x6]H)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]O){1|C<3>,2|C<4>,3|O<2>,4|H<1>}	H(C[4x6]C[6,6,6a]C[5,4x6]C[3x6])	111.4725	0.074	2	111.4725	0.006	2	111.3462	0.024	4	111.3462	0.024	4	111.4183	0.668	7	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6a]C[6])(C[6]C[6]C)(H){1|O<2>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]N[6]H){3|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6]N[6])	106.8290	0.000	1	106.8290	0.000	1	106.8290	0.000	1	107.6178	2.875	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:N[6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H)	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H)	H(C[6,6]C[6,6,6a]N[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(N[6]C[6]H)2(H){2|C<3>,4|N<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])2(C[6,6]N[6]2H){3|C<3>,6|H<1>}	H(C[6,6]C[6,6,6a]N[6]2)	109.1710	0.000	1	109.1710	0.000	1	109.1710	0.000	1	107.6178	2.875	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H)	H(C[6,6]C[6,6,6a]C[6,6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6,6a]2H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]2)	108.8630	0.000	1	108.8630	0.000	1	107.2355	5.298	2	107.6178	2.875	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H)	H(C[6,6]C[6,6,6a]C[6,6a]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6,6a](C[6,6a]C[6a]N[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6a]2H){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]2)	105.6080	0.000	1	105.6080	0.000	1	107.2355	5.298	2	107.6178	2.875	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H)	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6])(C[6,6]C[6,6a]C[6]H){1|Co<9>,1|C<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	128.4795	7.113	2	128.4795	50.592	2	128.4795	50.592	2	128.4795	50.592	2	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6])	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6]C[6,6a]C[6]H)(C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]C[6]){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	106.9367	0.448	3	106.9367	0.200	3	106.9367	0.200	3	106.9367	0.200	3	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	108.4778	1.636	12	108.4778	2.675	12	108.4778	2.675	12	108.4778	2.675	12	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6,6a]-3:C[4,6,6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H)	H(C[6,6]C[6,6,6a]C[4,6,6]H)	C[6,6](C[6,6,6a]C[6,6,6a]C[6a])(C[4,6,6]C[4,6]2H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]H)	108.9261	1.944	24	108.9261	3.778	24	108.9261	3.778	24	108.9261	3.778	24	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6a])(C[6]C[5,6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	C[6,6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[5,6a]O[6])(C[6,6]C[6]O[6]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	108.0825	0.418	2	108.0825	0.175	2	108.0825	0.175	2	109.1115	0.887	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[5,6]HH)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]O[6])	109.9540	0.000	1	109.9540	0.000	1	109.6260	0.361	4	109.1115	0.887	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(O[6]C[6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a,6a]O[6])(C[6,6]C[6]O[6]H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6]O[6])	110.1730	0.000	1	110.1730	0.000	1	109.6260	0.361	4	109.1115	0.887	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H)	H(C[6,6]C[6,6,6a]C[6]O[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]O[6]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]O[6])	109.1885	0.541	2	109.1885	0.293	2	109.6260	0.361	4	109.1115	0.887	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H)	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]2H)(O[6]C[6,6a])(H){1|O<2>,4|C<3>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	107.5550	0.000	1	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[5a,6,6a]-3:C[6,6a,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H)	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H)	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[5a,6,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,6,6a]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,8|C<3>}	C[6,6,6a](C[5a,6,6a]C[5a,6a,6a]C[5a,6,6a])(C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	107.8097	0.567	7	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6]-4:C[5,6]-3:H-1:	C[6,6a,6a]-3:C[5,6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H)	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H)	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6a]C[6])(C[5,6]C[5,5,6,6]C[5,6])(H){1|H<1>,1|N<2>,2|C<4>,9|C<3>}	C[6,6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,5,6,6]C[5,6a,6a])(C[6,6]C[5,6]C[6,6]H){10|C<3>,1|C<4>}	H(C[6,6]C[6,6,6a]C[5,6]C[6,6])	107.1540	0.000	1	107.1540	0.000	1	107.1540	0.000	1	107.8097	0.567	7	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	107.3080	0.000	1	107.9687	0.337	3	108.1634	0.277	5	107.8097	0.567	7	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.2990	0.136	2	107.9687	0.337	3	108.1634	0.277	5	107.8097	0.567	7	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.4555	0.390	2	108.4555	0.152	2	108.1634	0.277	5	107.8097	0.567	7	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.0050	0.000	1	107.0050	0.000	1	107.2006	0.550	5	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6,6a](C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])(C[6,6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	105.9810	0.000	1	105.9810	0.000	1	107.2006	0.550	5	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6,6a]C[6]2)	107.7440	0.000	1	107.7440	0.000	1	107.2006	0.550	5	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H)	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]CH)2(H){2|C<3>,2|O<2>,4|C<4>}	C[6,6,6a](C[6,6a]C[6a]O[6])2(C[6,6]C[6]2H){2|C<3>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6400	0.000	1	107.6400	0.000	1	107.2006	0.550	5	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H)	H(C[6,6]C[6,6,6a]C[6]2)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6,6a](C[6,6a]C[6a]C[6])2(C[6,6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,8|H<1>}	H(C[6,6]C[6,6,6a]C[6]2)	107.6330	0.000	1	107.6330	0.000	1	107.2006	0.550	5	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6,6a]-3:C[6]-4:N[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H)	H(C[6,6]C[6,6,6a]C[6]N[6])	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(N[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6,6]C[6]N[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6,6a]C[6]N[6])	108.9170	0.000	1	108.9170	0.000	1	108.9170	0.000	1	107.4867	0.931	6	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	107.6480	0.000	1	107.6480	0.000	1	107.9632	0.746	4	107.9632	0.746	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CC[6a]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	107.4795	0.162	2	107.4795	0.026	2	107.9632	0.746	4	107.9632	0.746	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	3:4:4:1:	3:4:2:	4:	C[6,6,6a]-3:C[4,6,6]-4:C-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]C)	C[6,6](C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(CH3)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]CH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C)	109.2460	0.000	1	109.2460	0.000	1	107.9632	0.746	4	107.9632	0.746	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6,6a]C[5,6]O[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|H<1>,2|C<3>,2|O<2>,6|C<4>}	C[6,6,6a](C[6,6]C[5,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	H(C[6,6]C[6,6,6a]C[5,6]O[6])	108.9060	0.000	1	108.9060	0.000	1	108.9060	0.000	1	109.0415	0.409	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.2520	0.000	1	108.7470	0.510	2	109.0867	0.601	3	109.0415	0.409	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	108.2420	0.000	1	108.7470	0.510	2	109.0867	0.601	3	109.0415	0.409	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6,6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H)	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6,6a]C[6,6]O[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(O[6]C[6])(H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6,6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6,6a]C[6a]O[6]){1|C<3>,3|H<1>,5|C<4>}	H(C[6,6]C[6,6,6a]C[6,6]O[6])	109.7660	0.000	1	109.7660	0.000	1	109.0867	0.601	3	109.0415	0.409	4	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H)	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6,6a]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,6|C<3>}	C[6,6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	105.3915	0.721	2	105.3915	0.519	2	105.3915	0.519	2	105.3915	0.519	2	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:4:1:	3:4:2:	4:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){2|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	105.9990	0.000	1	105.8855	0.026	2	105.8855	0.026	2	105.8855	0.026	2	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:4:1:	3:4:2:	4:	C[6,6]-4:C[6,6,6a]-3:C[4,6,6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H)	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a])	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	C[6,6](C[6,6]C[6,6,6a]C[4,6,6]H)(C[6,6,6a]C[6,6,6a]N[6a])(C[4,6,6]C[4,6]2H)(H){1|N<2>,3|C<3>,3|H<1>,5|C<4>}	C[6,6,6a](C[6,6,6a]C[4,6,6]C[6a])(C[6,6]C[4,6,6]C[6,6]H)(N[6a]C[6a]){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[4,6,6]C[6,6])	105.7720	0.000	1	105.8855	0.026	2	105.8855	0.026	2	105.8855	0.026	2	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6,6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2	H(C[6,6]C[6,6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){1|H<1>,3|C<3>,3|O<2>,4|C<4>}	C[6,6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])2{2|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6,6a]C[6,6]C[6])	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	107.3780	0.000	1	108.7688	13.626	78	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.4015	0.013	2	107.5017	0.030	3	107.7265	0.087	6	107.7265	0.087	6	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.7020	0.000	1	107.5017	0.030	3	107.7265	0.087	6	107.7265	0.087	6	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	107.7340	0.000	1	107.7340	0.000	1	107.7265	0.087	6	107.7265	0.087	6	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.0440	0.000	1	108.0440	0.000	1	107.7265	0.087	6	107.7265	0.087	6	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:2:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H)	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	H(C[6,6]C[6,6a]O[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(O[6]N[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6]O[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6,6]C[6,6a]O[6,6]O[6])	108.0760	0.000	1	108.0760	0.000	1	107.7265	0.087	6	107.7265	0.087	6	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:3:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H)	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(N[6]C[6]N)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6]O[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]N[6])	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.7380	0.000	1	107.7380	0.000	1	107.7887	0.080	3	107.7887	0.080	3	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.0930	0.000	1	107.8140	0.156	2	107.7887	0.080	3	107.7887	0.080	3	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:2:4:1:	4:3:3:	4:	C[6,6a]-3:O[6,6]-2:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.5350	0.000	1	107.8140	0.156	2	107.7887	0.080	3	107.7887	0.080	3	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	108.2688	0.071	4	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.4545	0.091	2	108.4545	0.008	2	108.3917	0.016	3	108.2688	0.071	4	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]P[6,6]C[6])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.2660	0.000	1	108.2660	0.000	1	108.3917	0.016	3	108.2688	0.071	4	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2O[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2O[6,6])	110.4310	0.000	1	110.4310	0.000	1	111.2945	1.491	2	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2O[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(O[6,6]C[6,6])(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|C<4>,1|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2O[6,6])	112.1580	0.000	1	112.1580	0.000	1	111.2945	1.491	2	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	109.1440	0.000	1	109.1440	0.000	1	109.1440	0.000	1	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.4325	0.077	2	108.4325	0.006	2	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H){1|O<2>,2|H<1>,2|N<2>,4|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.8445	0.040	2	108.8445	0.002	2	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.7000	0.000	1	108.7000	0.000	1	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6175	0.173	2	108.6175	0.030	2	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]O[6])	109.0625	0.677	2	108.9347	0.278	3	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(O[6]C[5,6])(H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]O[6])	108.6790	0.000	1	108.9347	0.278	3	108.7293	0.105	10	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:S[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]S[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(S[6]C[6,6a])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]S[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]S[6])	108.7157	0.240	3	108.7157	0.057	3	108.7157	0.057	3	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]N[5,6,6]C[6,6a]O[6])	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[5,6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6,6]N[5,6,6]C[6,6a]O[6])	107.8580	0.000	1	107.8580	0.000	1	107.8580	0.000	1	109.0018	0.962	17	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|S<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	105.9890	0.000	1	105.9890	0.000	1	105.9890	0.000	1	106.7721	1.101	11	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[3x6]-3:N[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6a]C[3x6])(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6,6]N[3x6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[3x6]N[6])	108.7065	0.088	2	108.7065	0.008	2	108.7065	0.008	2	106.7721	1.101	11	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]2)(H){1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]2)	106.3620	0.000	1	106.3620	0.000	1	106.3864	0.245	8	106.7721	1.101	11	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(N[6,6]C[6]S[6])(H){2|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]2)	106.3010	0.000	1	106.3010	0.000	1	106.3864	0.245	8	106.7721	1.101	11	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]N[6,6]2H)(C[6a]C[6a]H){1|C<3>,4|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]2)	106.4047	0.584	6	106.4047	0.341	6	106.3864	0.245	8	106.7721	1.101	11	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.2430	0.000	1	107.2430	0.000	1	107.2520	0.179	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	107.6800	0.000	1	107.6800	0.000	1	107.2520	0.179	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(H){2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[5a,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]N[6,6])	106.8330	0.000	1	106.8330	0.000	1	107.2520	0.179	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	109.0810	0.000	1	109.0810	0.000	1	109.0810	0.000	1	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	107.2930	0.212	2	107.2930	0.045	2	107.0213	0.244	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	106.4780	0.000	1	106.4780	0.000	1	107.0213	0.244	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6,6a]C[6,6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6,6a]C[6,6a]2)(H){4|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]2)	105.8090	2.698	2	105.8090	7.281	2	105.7363	3.656	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6,6a]C[6,6a]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]2)	105.5910	0.000	1	105.5910	0.000	1	105.7363	3.656	3	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6,6a]-3:H-1:	C[6,6]-4:C[6a,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H)	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])	H(C[6,6]C[6,6,6a]C[6,6a]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(H){1|N<3>,2|O<2>,7|C<3>}	C[6,6a](C[6,6]C[6,6,6a]C[6,6a]H)(C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6]){1|C<4>,2|H<1>,7|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]2)	105.5210	0.000	1	105.5210	0.000	1	105.5210	0.000	1	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[5])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	109.1455	0.025	2	109.1455	0.001	2	108.9486	0.036	7	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6])(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|P<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	109.0395	0.043	2	109.0395	0.002	2	108.9486	0.036	7	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[6,6]P[6,6]C[6a])(H){2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	108.7210	0.010	2	108.7210	0.000	2	108.9486	0.036	7	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H)	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2N[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(H){2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2N[6,6])	108.8280	0.000	1	108.8280	0.000	1	108.9486	0.036	7	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[5a,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]N[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]N[5a,6]C[6,6])	108.3060	0.000	1	108.3060	0.000	1	108.3060	0.000	1	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]N[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	111.6960	0.000	1	111.6960	0.000	1	108.6205	4.343	4	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.3590	0.284	2	107.3590	0.081	2	108.6205	4.343	4	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0680	0.000	1	108.0680	0.000	1	108.6205	4.343	4	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.8360	0.047	2	107.8360	0.002	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(N[6]C[6,6a]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.0650	0.228	4	108.0650	0.052	4	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.1805	0.514	2	107.3207	0.191	3	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.6010	0.000	1	107.3207	0.191	3	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.8010	0.000	1	108.6330	0.056	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.4650	0.000	1	108.6330	0.056	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|I<1>,1|N<3>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.6130	0.757	2	107.6130	0.572	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6]N[6])(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9795	0.293	2	107.9795	0.086	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.4860	0.000	1	107.4860	0.000	1	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(N[6]S[6]H)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	106.3720	0.000	1	106.3720	0.000	1	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9720	0.000	1	107.9720	0.000	1	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(N[6]C[6]S)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.9210	0.082	2	107.9210	0.007	2	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]O[6])(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	107.3110	0.000	1	107.3110	0.000	1	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H)	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]N[5a,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6]N[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]N[6])	108.5170	0.000	1	108.5170	0.000	1	107.8111	0.319	22	107.8201	1.423	45	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6,6]-4:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,2|C<3>,2|H<1>,3|O<2>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H){2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	107.9415	0.052	2	107.9415	0.003	2	107.9415	0.003	2	107.9415	0.003	2	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(N[6a]C[6a,6a]){1|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	109.1990	0.000	1	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co)	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CoH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a,6a]Co){1|C<4>,1|H<1>,6|C<3>}	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	111.4860	16.498	2	111.4860	272.191	2	111.4860	272.191	2	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9810	0.491	3	107.9810	0.241	3	107.9810	0.241	3	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6,6a]-3:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6,6a]C[6,6a]2)(C[6]C[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6,6]C[6,6,6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6,6a]C[6,6a]C[6])	106.9593	0.442	3	106.9593	0.196	3	106.9593	0.196	3	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.5400	0.000	1	109.5400	0.000	1	109.3542	1.077	6	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.3460	0.000	1	109.3460	0.000	1	109.3542	1.077	6	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.8160	0.129	2	109.9673	0.077	3	109.3542	1.077	6	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	110.2700	0.000	1	109.9673	0.077	3	109.3542	1.077	6	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6,6]C[6,6]2H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]2)	107.3370	0.000	1	107.3370	0.000	1	109.3542	1.077	6	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[3x6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]2C[3x6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])2(C[3x6]C[3x6]C[6]H)(H){1|H<1>,4|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6a]O[6]){2|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[3x6])	110.3950	0.000	1	110.3950	0.000	1	110.3950	0.000	1	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	104.9180	0.000	1	104.9180	0.000	1	104.9180	0.000	1	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a,6a]N[6a])(C[6,6]C[6,6]HH)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]H){1|C<4>,2|N<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.2570	0.000	1	109.2570	0.000	1	108.1565	2.422	2	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a,6a]O){1|N<2>,2|C<4>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.0560	0.000	1	107.0560	0.000	1	108.1565	2.422	2	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,4|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.3200	0.000	1	110.3200	0.000	1	110.2900	0.002	2	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6]){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.2600	0.000	1	110.2600	0.000	1	110.2900	0.002	2	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]N[5,3x6]C[6,6a]C[6])	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]N[5,3x6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]N[5,3x6]C[6,6a]C[6])	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	108.8498	16.650	21	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|H<1>,1|N<2>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2030	0.000	1	111.2395	0.003	2	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(H){1|N<2>,1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.2760	0.000	1	111.2395	0.003	2	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	105.3730	0.000	1	106.7770	1.478	3	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.4750	0.000	1	106.7770	1.478	3	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|O<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.4830	0.000	1	106.7770	1.478	3	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.5465	0.138	2	108.5104	0.007	5	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.5390	0.000	1	108.5104	0.007	5	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4450	0.000	1	108.5104	0.007	5	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<2>,1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	108.4750	0.000	1	108.5104	0.007	5	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(H){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	107.9620	0.000	1	107.9620	0.000	1	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	C[6,6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[5a,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6,6]C[5a,6]C[6,6a]C[6,6])	111.0580	0.000	1	111.0580	0.000	1	108.6985	3.024	12	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	107.8000	0.000	1	107.8000	0.000	1	107.8000	0.000	1	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.3620	0.000	1	106.3620	0.000	1	106.8540	0.412	5	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9100	0.000	1	107.1527	0.488	3	106.8540	0.412	5	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9400	0.000	1	107.1527	0.488	3	106.8540	0.412	5	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6080	0.000	1	107.1527	0.488	3	106.8540	0.412	5	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4500	0.000	1	106.4500	0.000	1	106.8540	0.412	5	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]2C[6,6])	109.8840	0.000	1	109.8840	0.000	1	109.8840	0.000	1	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	104.8880	0.000	1	104.8880	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.0310	0.000	1	107.0310	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6,6]C[6,6]HO)(H){4|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.8790	0.000	1	109.8790	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.4980	0.214	3	109.4980	0.046	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6a]2C[6,6])	109.3920	0.000	1	109.4910	0.075	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]2C[6,6])	109.5405	0.368	2	109.4910	0.075	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.4480	0.000	1	110.4480	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.8595	0.121	2	110.0300	0.095	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.3710	0.000	1	110.0300	0.095	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.0160	0.000	1	109.0160	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	108.8960	0.000	1	108.8960	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.9050	0.075	2	109.9050	0.006	2	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.3190	0.000	1	110.0719	0.048	9	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.7470	0.000	1	110.0719	0.048	9	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.2155	0.390	2	110.0719	0.048	9	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.0170	0.072	4	110.0719	0.048	9	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	110.0820	0.000	1	110.0719	0.048	9	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HH)(H){1|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	109.7580	0.000	1	109.7580	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.2620	0.000	1	110.2620	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.5640	0.000	1	109.9540	0.077	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.0840	0.120	3	109.9540	0.077	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6]HS)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	109.9984	0.283	5	109.9984	0.080	5	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.1630	0.000	1	108.1630	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6,6a]C[6]H)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	108.1680	0.000	1	108.1680	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|C<2>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	106.1950	0.000	1	107.8540	1.420	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){2|C<4>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.4070	0.543	3	107.8540	1.420	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.2790	0.000	1	108.2790	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	106.2480	0.000	1	106.2480	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.3150	0.000	1	107.7371	0.528	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.8700	0.232	2	107.7371	0.528	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.3765	1.474	2	107.7371	0.528	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,3|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.6963	0.645	3	107.7371	0.528	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|C<2>,3|C<3>,4|C<4>}	H(C[6,6]C[6,6a]2C[6,6])	107.5175	0.286	2	108.2080	0.808	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2C)(H){1|O<1>,2|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){4|C<3>,4|C<4>}	H(C[6,6]C[6,6a]2C[6,6])	108.8985	0.658	2	108.2080	0.808	4	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	106.9320	0.000	1	107.6857	0.426	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.0625	0.028	2	107.6857	0.426	3	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	108.2490	0.000	1	108.2490	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.8800	0.000	1	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	108.1950	0.000	1	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	107.0020	0.000	1	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|O<1>,3|C<3>,3|O<2>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	108.0800	0.037	2	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.9670	0.000	1	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	107.4935	0.019	2	107.8989	0.322	8	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	108.9010	0.000	1	108.4125	0.477	2	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])2(C[6,6]C[6]2H)(H){2|H<1>,2|N<3>,2|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,3|C<4>,4|C<3>}	H(C[6,6]C[6,6a]2C[6,6])	107.9240	0.000	1	108.4125	0.477	2	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.2770	0.000	1	110.2770	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H)	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]2C[6,6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]O[6a]C[6])(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]2C[6,6])	110.3080	0.000	1	110.3080	0.000	1	108.8549	1.589	73	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[5,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]N[5,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[5,6])	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6,6]C[6]3)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.4785	0.165	2	109.4785	0.027	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C)(C[6]O[6]HS)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.9830	0.000	1	109.9830	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1220	0.000	1	108.1220	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6]S[6]CH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.1940	0.000	1	106.1940	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.9220	0.000	1	108.5435	0.773	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	109.1650	0.000	1	108.5435	0.773	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.9500	0.000	1	107.9229	0.814	8	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.6015	0.368	2	107.9229	0.814	8	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.3040	0.000	1	107.9229	0.814	8	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2315	1.237	4	107.9229	0.814	8	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1090	0.000	1	108.2925	0.067	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.4760	0.000	1	108.2925	0.067	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2690	0.519	3	108.2690	0.270	3	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2235	0.682	2	108.2413	0.560	4	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HN)(H){2|C<4>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2590	1.102	2	108.2413	0.560	4	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HO)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.9720	0.000	1	106.9720	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.1800	0.000	1	108.2456	0.099	5	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]N[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2620	0.360	4	108.2456	0.099	5	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]O[6]CH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5910	0.000	1	107.5910	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]N[6])(C[6]C[6]CC)(H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	106.8150	0.000	1	106.8150	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2600	1.475	2	108.2600	2.176	2	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.5490	0.000	1	108.5490	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,3|O<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8670	0.000	1	107.8670	0.000	1	108.1562	0.763	36	108.5632	1.639	130	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[5,6,6]C[6,6a]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6,6]C[5,6]2H)(O[6]C[6])(H){2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[5,6,6]O[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]O[6])	109.0325	0.701	2	109.0325	0.491	2	109.0325	0.491	2	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6620	0.000	1	108.3023	0.072	4	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,5,6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1823	0.146	3	108.3023	0.072	4	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.4810	0.000	1	109.4810	0.000	1	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	110.8640	0.000	1	109.5145	3.642	2	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1650	0.000	1	109.5145	3.642	2	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]O[6]H)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.5750	0.000	1	109.5750	0.000	1	108.9117	0.976	8	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.8637	0.503	3	108.6705	0.318	4	108.6705	0.318	4	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6]){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0910	0.000	1	108.6705	0.318	4	108.6705	0.318	4	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(O[6,6]C[4x6])(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6,6]O[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	107.7585	0.115	2	107.7585	0.013	2	107.7585	0.013	2	108.7224	0.709	16	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:2:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.7763	0.360	7	107.8758	0.102	13	107.8713	0.091	15	107.8713	0.091	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:2:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]BrH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.9918	0.245	6	107.8758	0.102	13	107.8713	0.091	15	107.8713	0.091	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:2:	4:	C[6,6a]-3:C[6]-4:S[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H)	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]S[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(S[6,6]C[6,6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]S[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]S[6,6]C[6])	107.8425	0.202	2	107.8425	0.041	2	107.8713	0.091	15	107.8713	0.091	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[3x6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[3x6]O[6])	107.6210	0.000	1	107.6210	0.000	1	107.6210	0.000	1	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(O[6]Si[6])(H){1|H<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.4450	0.000	1	108.4450	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1203	0.077	3	108.1203	0.006	3	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1440	0.000	1	108.1440	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(O[6]C[6,6a])(H){1|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.1910	0.000	1	108.1910	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.0310	0.000	1	108.0310	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6073	0.203	3	108.5528	0.027	5	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5090	0.000	1	108.5528	0.027	5	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(O[6]C[6])(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.4330	0.000	1	108.5528	0.027	5	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.8425	0.453	2	108.8425	0.205	2	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]Cl){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.5930	0.040	2	108.5930	0.002	2	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|F<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	106.8473	0.033	3	107.0850	0.272	9	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.1280	0.000	1	107.0850	0.272	9	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.3157	0.758	4	107.0850	0.272	9	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]O[6])	106.8320	0.000	1	107.0850	0.272	9	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.9665	0.115	2	108.8657	0.037	3	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6640	0.000	1	108.8657	0.037	3	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.2654	0.570	5	108.8267	1.415	6	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2S)(O[6]C[6,6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	106.6330	0.000	1	108.8267	1.415	6	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,1|S<4>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.4980	0.000	1	107.4980	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.9810	0.000	1	107.9810	0.000	1	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	108.6240	0.000	1	108.3285	1.561	4	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.0830	0.000	1	108.3285	1.561	4	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,2|O<2>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.9420	0.000	1	108.3285	1.561	4	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]O[6])	107.6650	0.000	1	108.3285	1.561	4	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]O[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6]C[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]O[6])	109.8250	0.048	3	109.8250	0.002	3	108.2883	0.935	43	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(O[6,6]C[6,6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.1735	0.132	2	108.1735	0.017	2	108.2745	0.029	4	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(O[6,6]C[6,6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.4980	0.000	1	108.4980	0.000	1	108.2745	0.029	4	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:2:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:O[6,6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H)	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]O[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(O[6,6]C[6,6])(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]O[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]O[6,6]C[6])	108.2530	0.000	1	108.2530	0.000	1	108.2745	0.029	4	108.3240	0.955	49	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	94.8643	0.000	1	103.7183	35.218	4	103.7183	35.218	4	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6697	0.751	3	103.7183	35.218	4	103.7183	35.218	4	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3,6,6]HH)(C[6]C[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.6600	0.000	1	110.6600	0.000	1	110.6600	0.000	1	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6]){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.8740	0.000	1	110.8740	0.000	1	108.3433	5.564	3	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){2|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2060	0.000	1	106.2060	0.000	1	108.3433	5.564	3	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9500	0.000	1	107.9500	0.000	1	108.3433	5.564	3	106.3204	24.996	8	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[3x6]C[6,6])	110.2040	0.000	1	110.8940	0.952	2	110.8940	0.952	2	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[3x6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[3x6]C[6,6])	111.5840	0.000	1	110.8940	0.952	2	110.8940	0.952	2	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2H)(N[6]C[6,6a]H)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[3x6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[3x6]N[6])	109.0550	0.000	1	109.0550	0.000	1	109.0550	0.000	1	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.0170	0.042	2	108.0170	0.002	2	108.0170	0.002	2	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6,6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.6480	0.089	2	107.6480	0.008	2	107.5267	0.048	3	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.2840	0.000	1	107.2840	0.000	1	107.5267	0.048	3	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.9180	0.000	1	109.9180	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7800	0.000	1	109.7800	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2230	0.000	1	107.2230	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.9550	0.470	2	109.4348	0.224	6	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]N)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<2>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1748	0.170	4	109.4348	0.224	6	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4443	0.180	3	109.4042	0.075	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Ir<8>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0090	0.000	1	109.4042	0.075	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]O)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6790	0.000	1	109.4042	0.075	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.2810	0.000	1	110.2810	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7370	0.000	1	109.7370	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4433	0.227	3	109.6085	0.144	4	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.1040	0.000	1	109.6085	0.144	4	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8660	0.000	1	107.8660	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Br)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4980	0.000	1	106.4980	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6400	0.000	1	106.6400	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1570	0.000	1	108.2400	0.014	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<2>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3230	0.000	1	108.2400	0.014	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Br){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0510	0.000	1	108.0510	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.7750	0.000	1	107.7294	0.697	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.4545	0.622	2	107.7294	0.697	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9815	1.456	2	107.7294	0.697	5	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6740	0.000	1	108.0297	0.601	3	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2075	1.006	2	108.0297	0.601	3	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Si){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4390	0.000	1	108.4390	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)(H){1|O<1>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9290	0.000	1	106.9290	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]N)(H){1|B<3>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1460	0.000	1	108.1460	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]Si)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<4>,1|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6015	0.342	2	108.6015	0.117	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]O[6]O)(H){1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3705	0.086	2	108.3705	0.007	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(C[6]C[6]O)(H){4|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){2|C<4>,2|O<1>,2|O<2>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6020	0.000	1	106.6020	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4490	0.544	2	108.4490	0.296	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6350	0.000	1	108.6350	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2220	0.024	2	108.2220	0.001	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7170	0.000	1	108.7170	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(H){1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0935	0.166	2	107.0935	0.028	2	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6940	0.000	1	109.6940	0.000	1	108.5472	1.082	51	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(N[6,6]C[6,6]C)(H){1|O<2>,1|S<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.0010	0.000	1	107.0010	0.000	1	107.0010	0.000	1	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	114.6610	0.000	1	114.6610	0.000	1	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4630	0.000	1	109.6917	0.051	3	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.9150	0.000	1	109.6917	0.051	3	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.6970	0.000	1	109.6917	0.051	3	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(N[6]C[6a]C[6])(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5370	0.000	1	109.5370	0.000	1	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6,6a]S)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3730	0.048	2	109.3730	0.002	2	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.7040	0.000	1	109.5556	0.012	5	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(N[6]C[5a,6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.5185	0.086	4	109.5556	0.012	5	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3280	0.000	1	108.6890	0.817	2	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(N[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0500	0.000	1	108.6890	0.817	2	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.0690	0.000	1	108.0690	0.000	1	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.3950	0.143	2	108.6043	0.142	3	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.0230	0.000	1	108.6043	0.142	3	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4850	0.000	1	109.4850	0.000	1	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	108.2575	2.442	2	108.9663	2.745	4	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.0390	0.000	1	108.9663	2.745	4	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(N[6]C[6,6a]H)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.3110	0.000	1	108.9663	2.745	4	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(N[6]C[6,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[6,6]N[6])	110.8760	0.000	1	110.8760	0.000	1	109.4701	1.959	24	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(C[6,6]C[6]2)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.0000	0.000	1	106.0000	0.000	1	106.0000	0.000	1	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(N[6,6]C[6]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	105.7190	0.000	1	105.7190	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.7110	0.000	1	107.9905	1.038	2	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6,6]C[6]2)(H){1|N<4>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.2700	0.000	1	107.9905	1.038	2	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.7360	0.000	1	107.7360	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.5500	0.000	1	107.5500	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3540	0.000	1	108.3540	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(N[6,6]C[6]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.0020	0.000	1	107.0020	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6,6]C)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.2910	0.156	2	108.2910	0.024	2	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.7798	1.426	4	107.7958	1.270	6	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.8280	0.496	2	107.7958	1.270	6	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.0330	0.000	1	108.3385	0.098	11	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.4405	0.554	2	108.3385	0.098	11	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3333	0.330	6	108.3385	0.098	11	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.3550	0.000	1	108.3385	0.098	11	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2)(H){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.4540	0.000	1	108.3385	0.098	11	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(N[6,6]C[6]2)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	108.8800	0.000	1	108.8800	0.000	1	108.0112	0.671	27	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:P[6]-4:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H)	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]P[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]2)(N[6,6]C[6,6]C)(H){1|P<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6]N[6,6]P[6]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6,6]C[6,6a]N[6,6]P[6])	107.1100	0.445	2	107.1100	0.198	2	107.1100	0.198	2	108.5629	1.540	114	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6,6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O)	H(C[6,6]C[6,6a]C[6,6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]2H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]2)	109.0815	0.107	2	109.0815	0.011	2	109.0815	0.011	2	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3780	0.000	1	109.3780	0.000	1	109.3780	0.000	1	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6a]C[6]H)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0680	0.000	1	107.0680	0.000	1	107.0680	0.000	1	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4990	0.051	2	106.4990	0.003	2	106.4990	0.003	2	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6290	0.000	1	109.6290	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9900	0.583	2	106.9900	0.339	2	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6550	0.000	1	109.6550	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6830	0.000	1	109.6830	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]2H)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4250	0.000	1	108.4250	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]C)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6180	0.000	1	106.6180	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HO)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.1433	0.633	3	107.1433	0.401	3	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]N[5,6]HH)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4687	0.497	3	106.4687	0.247	3	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HO)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2900	0.000	1	107.2900	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.7782	1.747	4	105.7782	3.051	4	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]O[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2000	0.000	1	108.2000	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HO)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6]C[6,6]C[6]H)(C[6a]N[6a]O){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5710	0.221	2	107.5710	0.049	2	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[5,6,6]HH)(C[6]C[5,6,6]HH)(H){1|C<3>,1|N<2>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|N<4>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.2230	0.000	1	109.2230	0.000	1	107.3543	2.162	22	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6]){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.8075	0.145	2	109.8075	0.021	2	109.4663	0.360	3	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6]O[6]HH)(H){3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6]){1|O<1>,2|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7840	0.000	1	108.7840	0.000	1	109.4663	0.360	3	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6a]-3:C[6,6]-4:C[6,6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6]){1|C<4>,5|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.3405	0.091	4	108.3405	0.008	4	108.3405	0.008	4	107.7182	2.020	36	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|Br<1>,1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3397	0.185	6	109.3397	0.034	6	108.8602	0.328	12	108.8602	0.328	12	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,3|C<3>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5825	0.239	4	108.3807	0.135	6	108.8602	0.328	12	108.8602	0.328	12	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:2:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){1|C<4>,4|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.9770	0.126	2	108.3807	0.135	6	108.8602	0.328	12	108.8602	0.328	12	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]H)(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	110.0800	0.000	1	110.0800	0.000	1	109.8633	0.043	3	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[3x6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]C[6]O)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	109.7550	0.129	2	109.7550	0.017	2	109.8633	0.043	3	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|F<1>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.1715	0.077	2	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.9390	0.245	2	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.4160	0.000	1	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	105.6460	0.000	1	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.5130	0.000	1	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.2140	0.000	1	107.5012	0.697	8	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.7350	0.000	1	106.7350	0.000	1	107.4161	0.675	9	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	109.1940	0.000	1	107.9090	3.302	2	106.6237	6.607	3	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<4>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	106.6240	0.000	1	107.9090	3.302	2	106.6237	6.607	3	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(C[6,6]C[6]O[6]H)(H){1|C<2>,3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	104.0530	0.000	1	104.0530	0.000	1	106.6237	6.607	3	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[6,6]C[6]2H)(H){2|C<3>,3|C<4>,9|H<1>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]CH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.5780	0.000	1	109.5780	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[5,6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5040	0.000	1	108.5040	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4380	0.000	1	106.4380	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0630	0.195	6	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.1150	0.000	1	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.7270	0.000	1	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4465	0.110	2	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.4547	1.160	120	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.5870	0.000	1	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.7250	0.000	1	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.1330	0.000	1	106.4822	1.241	133	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.4860	0.000	1	107.4860	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6000	0.000	1	106.6000	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9380	0.000	1	106.9380	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6600	0.406	2	109.6600	0.165	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]CH)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4690	0.000	1	108.4690	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	100.6470	0.000	1	100.6470	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8690	0.000	1	108.8690	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.6963	0.528	7	106.6963	0.279	7	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6a]C[6a]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.9420	0.206	2	108.9420	0.043	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6]CH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3520	0.293	2	109.3520	0.086	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]BrH)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H){2|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1585	0.237	2	109.1585	0.056	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3530	0.000	1	109.0610	0.171	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7690	0.000	1	109.0610	0.171	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6,6a]HN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.4300	0.526	2	108.4300	0.277	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.9590	0.000	1	108.9590	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.0300	0.000	1	109.0300	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8150	0.000	1	108.8150	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3940	0.000	1	109.3940	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.7710	0.000	1	108.7710	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.3130	0.000	1	109.3130	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.4670	0.027	2	109.4670	0.001	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	110.3080	0.000	1	110.3080	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.7760	0.000	1	109.7760	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HO)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1450	0.071	2	109.1450	0.005	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2230	0.000	1	107.5793	0.208	4	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.6980	0.476	3	107.5793	0.208	4	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.8540	0.055	2	108.8540	0.003	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.1470	0.016	2	108.1470	0.000	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.3780	0.000	1	105.3780	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2800	0.000	1	107.2800	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]ClH)(H){1|C<3>,1|N<3>,1|O<1>,2|H<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O){1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.2080	0.011	2	107.2080	0.000	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.0150	0.733	4	106.2236	2.268	12	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.2920	0.000	1	106.2236	2.268	12	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8220	0.000	1	106.2236	2.268	12	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.4182	1.696	6	106.2236	2.268	12	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|C<3>,6|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<3>,1|S<4>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.4850	0.914	2	107.4850	0.835	2	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0360	0.000	1	107.9468	0.444	4	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6630	0.000	1	107.9468	0.444	4	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5440	0.697	2	107.9468	0.444	4	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2290	0.000	1	108.2290	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,3|N<3>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	104.1380	0.000	1	104.1380	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.9060	0.000	1	106.9060	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.6290	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1750	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1110	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.2140	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.0840	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]HN)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.6820	0.000	1	107.6492	3.239	6	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]CH)(H){1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	105.0120	0.000	1	105.0120	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.3940	0.000	1	107.3940	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.5230	0.000	1	107.5230	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.1700	0.000	1	109.1700	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]H)(C[6]C[6]HO)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5860	0.000	1	108.5860	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]N[6]O)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	107.8180	0.000	1	107.8180	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]FeH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<7>,1|C<3>,2|C<4>,2|O<2>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	106.0920	0.000	1	106.0920	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0860	0.000	1	108.0860	0.000	1	106.9591	2.161	220	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.5160	0.000	1	108.1320	0.132	4	108.1481	0.525	22	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6,6]HH)(H){2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0040	0.316	3	108.1320	0.132	4	108.1481	0.525	22	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<4>,1|O<1>,7|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	108.0634	0.717	17	108.1517	0.625	18	108.1481	0.525	22	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	C[6,6]-4:N[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H)	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]C[6])	C[6,6](C[6,6a]N[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]N[6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6]C[6,6]C[6]H)(N[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]C[6,6]C[6])	109.6540	0.000	1	108.1517	0.625	18	108.1481	0.525	22	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:N[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H)	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(N[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6])	109.4540	0.000	1	109.4540	0.000	1	109.4540	0.000	1	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.9385	0.077	2	107.9385	0.006	2	107.8307	0.423	4	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	3:4:4:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:N[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H)	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]N[6,6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(N[6,6]C[6]2H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[6,6a]N[6,6]C[6])	107.7230	1.103	2	107.7230	1.217	2	107.8307	0.423	4	107.1249	2.157	263	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:O[6]-2:H-1:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]O[6])	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,8|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]H){1|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]O[6])	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	105.9440	0.000	1	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	110.4764	0.322	8	110.4764	0.103	8	109.2945	2.706	13	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.4920	0.000	1	106.4920	0.000	1	109.2945	2.706	13	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.0130	0.000	1	107.0130	0.000	1	109.2945	2.706	13	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|Br<1>,1|N<3>,4|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.2190	0.000	1	107.2190	0.000	1	109.2945	2.706	13	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.1465	0.757	2	108.1465	0.574	2	109.2945	2.706	13	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|O<1>,3|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	106.8145	0.095	2	106.8145	0.009	2	107.1803	0.406	3	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]N[6,6])	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[6,6a](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6a]C[5,6]N[6,6])	107.9120	0.000	1	107.9120	0.000	1	107.1803	0.406	3	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H)	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[6,6]N[6,6])	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6,6]C[6,6a]C[6,6]N[6,6])	107.6760	0.588	2	107.6760	0.346	2	107.6760	0.346	2	108.7623	2.775	18	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6]C[3x6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	H(C[6,6]C[6,6a]C[3x6]C[6])	105.1210	0.000	1	105.1210	0.000	1	105.1210	0.000	1	106.6650	4.768	2	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]H){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.2090	0.000	1	108.2090	0.000	1	108.2090	0.000	1	106.6650	4.768	2	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[3x6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	H(C[6,6]C[6,6a]C[3x6]C[6])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6]C[3x6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[6,6a]C[3x6]C[6])	106.8530	0.000	1	106.8530	0.000	1	106.8530	0.000	1	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O){1|H<1>,3|C<3>,5|C<4>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.6120	0.000	1	108.6120	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|P<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	110.4500	0.000	1	110.4500	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<3>,4|C<4>,6|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	107.0450	0.000	1	107.0450	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.6960	0.011	2	106.6960	0.000	2	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	108.1310	0.000	1	108.1310	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,2|O<2>,5|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.9440	0.000	1	106.9440	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[5,6a]C[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H){1|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.7340	0.272	2	106.7340	0.074	2	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]C[5,6]N[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){1|O<2>,3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.5850	0.000	1	106.5850	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[5,6,6]C[6,6a]C[6])	C[6,6](C[5,6,6]C[6,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6,6]C[5,6,6]C[6,6a]C[6])	106.6880	0.000	1	106.6880	0.000	1	107.3923	1.476	11	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	105.7700	0.000	1	105.7700	0.000	1	107.6830	2.745	3	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6,6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[6,6]-4:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H)	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6,6]C[6,6a]C[5,6]C[6,6])	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,7|C<3>}	C[6,6a](C[6,6]C[5,6]C[6,6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6,6]C[6,6a]C[5,6]C[6,6])	108.6395	0.032	2	108.6395	0.001	2	107.6830	2.745	3	107.4145	1.485	15	107.9149	2.725	790	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.3230	0.171	3	106.4325	0.067	4	106.4325	0.067	4	106.4325	0.067	4	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:N[3x6]-3:N[3x6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2)2(H){1|C<4>,1|N<4>,4|C<3>,7|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.7610	0.000	1	106.4325	0.067	4	106.4325	0.067	4	106.4325	0.067	4	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	105.9742	0.187	5	105.9742	0.035	5	106.0369	0.073	11	106.0369	0.073	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.1777	0.361	3	106.0892	0.111	6	106.0369	0.073	11	106.0369	0.073	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3x6]-3:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2	H(C[6,6]N[3x6]2C[6a])	C[6,6](N[3x6]C[6,6]2)2(C[6a]C[6a]2)(H){1|N<3>,1|P<4>,4|C<3>,8|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	106.0007	0.350	3	106.0892	0.111	6	106.0369	0.073	11	106.0369	0.073	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:N[3x6]-4:N[3x6]-3:H-1:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H)	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6,6]N[3x6]2C[6a])	C[6,6](C[6a]C[6a]N[6a])(N[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(H){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[6a](C[6,6]N[3x6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|C<3>,2|H<1>,4|C<4>}	H(C[6,6]N[3x6]2C[6a])	107.1395	0.022	2	107.1395	0.000	2	107.1395	0.000	2	107.1395	0.000	2	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	108.5784	0.198	5	108.5784	0.039	5	108.5784	0.039	5	107.8905	1.128	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.2580	0.000	1	108.2580	0.000	1	107.3173	1.356	6	107.8905	1.128	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.7273	0.257	3	107.1292	1.430	5	107.3173	1.356	6	107.8905	1.128	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.4370	0.000	1	107.1292	1.430	5	107.3173	1.356	6	107.8905	1.128	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6,6]-3:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](N[6,6]C[3x6]C[6a])(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6,6]C[3x6]N[6,6]C[6a])	105.0270	0.000	1	107.1292	1.430	5	107.3173	1.356	6	107.8905	1.128	11	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,7|H<1>}	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.6265	0.012	2	106.6265	0.000	2	106.4651	0.288	12	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.3376	0.620	8	106.4328	0.345	10	106.4651	0.288	12	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[3x6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[3x6]C[6,6]2)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6]C[3x6]N[3x6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[3x6]C[6a])	106.8135	0.233	2	106.4328	0.345	10	106.4651	0.288	12	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]N[5,6,6]C[3x6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6,6]N[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]N[5,6,6]C[3x6]C[6a])	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]C)(N[6,6]C[3x6]C[6a])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.4380	0.000	1	107.4380	0.000	1	107.8628	0.228	5	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.9820	0.000	1	107.9820	0.000	1	107.8628	0.228	5	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.9890	0.000	1	107.9890	0.000	1	107.8628	0.228	5	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]C)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	107.3670	0.000	1	107.3670	0.000	1	107.8628	0.228	5	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]N[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(N[6,6]C[3x6]S)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[6a](C[6,6]C[3x6]N[6,6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]N[6,6]C[6a])	108.5380	0.000	1	108.5380	0.000	1	107.8628	0.228	5	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[4,6,6]N[6,6]C[6a])	C[6,6](C[4,6,6]C[4,6]2C)(N[6,6]C[6,6]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6,6]C[4,6,6]N[6,6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	H(C[6,6]C[4,6,6]N[6,6]C[6a])	107.1390	0.000	1	107.1390	0.000	1	107.1390	0.000	1	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4x6]-4:C[3x6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[4x6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[3x6]C[4x6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[3x6]C[4x6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[4x6]C[6a])	108.6100	2.956	2	108.6100	8.736	2	108.6100	8.736	2	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6,6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H)	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6]O[6]H)(C[6a]C[6a]2)(N[6,6]C[6]2)(H){1|N<3>,3|C<3>,7|H<1>}	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[6,6]N[6,6]C[6a])	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[6,6]N[6,6]C[6a])	C[6,6](C[6,6]C[6,6]S[6]H)(N[6,6]C[6,6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6,6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	H(C[6,6]C[6,6]N[6,6]C[6a])	106.0780	0.000	1	106.0780	0.000	1	106.0780	0.000	1	107.0456	1.201	23	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	C[6,6](B[6,6,6a]C[5,6,6a]2C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,2|O<2>,5|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|B<4>,4|C<3>,4|H<1>}	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	106.7225	0.069	2	106.7225	0.005	2	106.4987	0.153	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	B[6,6,6a]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]HH)(C[6a]C[6a]2)(H){2|H<1>,2|N<3>,7|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|B<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]B[6,6,6a]C[6,6]C[6a])	106.0510	0.000	1	106.0510	0.000	1	106.4987	0.153	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[4x6]C[6]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]2C[6a])	107.3630	0.059	2	107.3630	0.004	2	106.8115	0.997	4	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]2C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){10|H<1>,2|C<3>,2|C<4>}	C[6a](C[6,6]C[3x6]2H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|H<1>,4|C<4>}	H(C[6,6]C[3x6]2C[6a])	106.2600	1.331	2	106.2600	1.771	2	106.8115	0.997	4	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2290	0.000	1	107.2290	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[3x6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8750	0.000	1	106.8750	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.5070	0.000	1	106.5070	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.4167	0.179	3	107.4167	0.032	3	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0280	0.000	1	107.0280	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.7670	0.000	1	106.7670	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2C)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.0490	0.000	1	107.0490	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.6233	0.585	3	107.4540	0.180	6	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2Cl)(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){2|Cl<1>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.2847	0.147	3	107.4540	0.180	6	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CC)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.1930	0.000	1	106.1930	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|Br<1>,1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.1510	0.000	1	107.1510	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8020	0.000	1	105.2680	4.706	2	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	103.7340	0.000	1	105.2680	4.706	2	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HN)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.8250	0.000	1	106.8250	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]2H)(C[6,6]C[3x6]HO)(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,7|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6630	0.000	1	106.6630	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]C)(C[6,6]C[5,3x6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	108.1410	0.000	1	108.1410	0.000	1	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	107.1130	0.781	2	107.1130	0.609	2	107.0068	0.720	24	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[4,6,6]2C[6a])	106.1113	0.268	3	105.9924	0.209	5	105.9924	0.209	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|N<3>,6|H<1>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,4|C<4>}	H(C[6,6]C[4,6,6]2C[6a])	106.3550	0.000	1	105.9924	0.209	5	105.9924	0.209	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6,6]-4:C[4,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2	H(C[6,6]C[4,6,6]2C[6a])	C[6,6](C[4,6,6]C[4,6,6]2C)2(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<2>,6|C<4>}	C[6a](C[6,6]C[4,6,6]2H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,4|C<4>}	H(C[6,6]C[4,6,6]2C[6a])	105.2730	0.000	1	105.9924	0.209	5	105.9924	0.209	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4x6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[4x6]C[6,6]C[6a])	C[6,6](C[4x6]C[3x6]C[6,6]C[6])(C[6,6]C[3x6]HH)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6,6]C[4x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[4x6]C[6,6]C[6a])	106.6990	0.162	3	106.6990	0.026	3	106.6990	0.026	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){10|C<3>,1|C<4>,2|H<1>,3|O<1>}	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	105.4980	0.000	1	105.9648	0.096	5	105.9648	0.096	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,2|C<4>,5|C<3>}	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	106.0920	0.000	1	105.9648	0.096	5	105.9648	0.096	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,3x6]-4:C[5,6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	C[6,6](C[5,3x6]C[5,6,6]2C[5])(C[5,6,6]C[5,3x6]C[5]2)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,3|O<1>,9|C<3>}	C[6a](C[6,6]C[5,3x6]C[5,6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	H(C[6,6]C[5,3x6]C[5,6,6]C[6a])	106.0780	0.234	3	105.9648	0.096	5	105.9648	0.096	5	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[3x6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	106.9860	0.000	1	106.9860	0.000	1	106.8360	0.019	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	106.7190	0.000	1	106.7610	0.004	2	106.8360	0.019	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]C[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[5,6,6]C[3x6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[5,6,6]C[3x6]C[6a])	106.8030	0.000	1	106.7610	0.004	2	106.8360	0.019	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]P[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Cr)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|Cr<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]P[3x6]C[6a])	105.8520	0.000	1	105.8520	0.000	1	105.7877	0.003	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]P[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2Mo)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|Mo<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]P[3x6]C[6a])	105.7730	0.000	1	105.7730	0.000	1	105.7877	0.003	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6,6]-4:P[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2	H(C[6,6]C[5,6,6]P[3x6]C[6a])	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(P[3x6]O[6,6]2W)(C[6a]C[6a]2)(H){2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6,6]C[5,6,6]P[3x6]H)(C[6a]C[6a]H)2{1|W<6>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6,6]C[5,6,6]P[3x6]C[6a])	105.7380	0.000	1	105.7380	0.000	1	105.7877	0.003	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6,6]C[3x6]C[6,6]C[6a])	C[6,6](C[6,6]C[5,3x6]CH)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6,6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6,6]C[3x6]C[6,6]C[6a])	106.6615	0.200	4	106.6615	0.040	4	106.6615	0.040	4	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6,6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|S<4>,2|H<1>,7|C<3>}	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6,6]C[6,6]2C[6a])	107.6695	0.767	2	107.6695	0.589	2	107.2950	0.715	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6,6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H)	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6,6]C[6,6]2C[6a])	C[6,6](C[6,6]C[6,6a]N[6]H)(C[6,6]C[6]O[6]N)(C[6a]C[6a]2)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6,6]C[6,6]2C[6a])	106.5460	0.000	1	106.5460	0.000	1	107.2950	0.715	3	106.6876	0.606	57	106.8190	0.887	108	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.6550	2.128	2	108.6550	4.530	2	108.7376	0.764	7	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7080	0.030	3	108.7080	0.001	3	108.7376	0.764	7	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8645	0.029	2	108.8645	0.001	2	108.7376	0.764	7	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]2)(C[6,6a]C[6a]C[6])(C[6]O[6]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	108.6520	0.017	2	108.6520	0.000	2	108.6520	0.000	2	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]C)(C[6]O[6]HH){1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.3320	0.000	1	108.3320	0.000	1	108.3320	0.000	1	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]B[6,6])(H)2{1|H<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]O[6]HH){1|B<4>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3977	0.248	7	109.3977	0.061	7	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[3x6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	110.2330	0.096	4	110.2330	0.009	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.0300	0.670	5	109.0300	0.449	5	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.6623	0.273	7	108.7269	0.107	11	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2070	0.013	2	108.7269	0.107	11	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.4730	0.030	2	108.7269	0.107	11	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|F<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]F)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.1695	0.009	2	109.1695	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9878	0.084	4	108.9878	0.007	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6765	0.019	2	109.6765	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5a,6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	108.6835	0.005	2	108.6835	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2180	0.038	2	109.5581	1.123	10	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.0670	0.120	4	109.5581	1.123	10	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.0045	0.006	2	109.5581	1.123	10	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	111.4340	1.102	2	109.5581	1.123	10	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]H)	109.9480	0.000	1	108.9062	0.270	6	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]H)	108.6978	0.110	5	108.9062	0.270	6	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	109.2835	0.133	4	109.2835	0.018	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9535	0.023	2	109.6208	0.594	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	110.2880	0.035	2	109.6208	0.594	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2270	0.017	2	109.2270	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5610	0.050	4	109.5610	0.003	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){1|C<4>,6|C<3>}	H(C[6]C[6,6a]O[6]H)	108.9660	0.077	7	109.1445	0.041	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]HH){7|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2694	0.166	10	109.1445	0.041	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){1|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4936	0.110	7	109.2193	0.421	25	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	108.5530	0.818	8	109.2193	0.421	25	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]O[6]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5603	0.113	10	109.2193	0.421	25	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1465	0.080	2	109.1465	0.006	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5545	0.008	2	109.5545	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]F)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.7183	0.035	3	109.7183	0.001	3	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6957	0.097	7	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	108.6550	0.137	4	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	108.9610	0.014	2	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.7510	0.000	1	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<4>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6970	0.020	2	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.4223	0.122	11	109.3779	0.145	27	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){1|C<4>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5370	0.059	3	109.4023	0.013	11	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]O)(C[6]O[6]HH){5|C<3>}	H(C[6]C[6,6a]O[6]H)	109.3517	0.082	8	109.4023	0.013	11	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]O[6]HH){6|C<3>}	H(C[6]C[6,6a]O[6]H)	108.7640	0.016	2	108.7640	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]O[6]HH){4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.6027	0.084	6	109.6027	0.007	6	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]H)	109.5175	0.042	4	109.5175	0.002	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.5470	0.175	6	109.5470	0.031	6	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|O<2>}	H(C[6]C[6,6a]O[6]H)	109.0364	0.184	10	109.0349	0.028	12	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.0275	0.060	2	109.0349	0.028	12	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0180	0.025	2	109.0180	0.001	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1330	0.052	2	109.4105	0.104	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.6880	0.038	2	109.4105	0.104	4	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0030	0.008	2	109.0030	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.4415	0.039	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.2410	0.027	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.5600	0.007	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.3443	0.128	4	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.4335	0.062	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	108.7340	0.004	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	110.5125	0.622	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.0590	0.075	4	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2870	0.013	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	108.8725	0.005	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.7335	0.949	4	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9117	0.114	4	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2020	0.004	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.6125	0.016	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.5520	0.058	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.1327	0.054	3	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	108.8690	0.030	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9297	0.139	12	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]O[6]H)	109.2675	0.006	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.1300	0.449	4	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.1420	0.038	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.4070	0.016	2	109.2236	0.188	65	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9445	0.023	4	109.0141	0.010	8	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	108.9980	0.013	2	109.0141	0.010	8	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.1695	0.029	2	109.0141	0.010	8	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|N<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[5,6a]O)(C[6]O[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.1416	0.304	8	109.1416	0.092	8	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|S<4>}	H(C[6]C[6,6a]O[6]H)	109.0355	0.008	2	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2985	0.093	6	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.3220	0.037	3	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]O[6]H)	108.6685	0.026	2	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	110.2895	0.022	2	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|N<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|Ru<8>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	110.2680	0.035	2	109.4282	0.284	17	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6a]O[6]H)	109.5605	0.029	2	109.5605	0.001	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C[5])(C[6]O[6]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]H)	109.3450	0.040	2	109.3450	0.002	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6]C[6,6a]O[6]H)	109.4595	0.023	2	109.4831	0.016	22	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	109.6735	0.030	2	109.4831	0.016	22	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	109.4119	0.050	12	109.4831	0.016	22	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]H)	109.5700	0.158	6	109.4831	0.016	22	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]H)	109.2665	0.008	2	109.2665	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[3x6])(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HH){1|P<5>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]H)	109.1958	0.116	5	109.1958	0.013	5	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]HH){1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6,6a]O[6]H)	109.5130	0.004	2	109.5130	0.000	2	109.2830	0.210	325	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(O[6]C[6,6a])(H)2{5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]O[6]H)	109.0970	0.004	2	109.0970	0.000	2	109.0970	0.000	2	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH)	H(C[6]C[6,6a]O[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(O[6]C[6,6])(H)2{1|Br<1>,2|C<4>,3|C<3>}	C[6,6a](N[6,6a]C[6,6]C[6a])(C[6a]C[6a,6a]Br)(C[6]O[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]O[6]H)	108.5735	0.025	2	108.5735	0.001	2	108.5735	0.001	2	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6]C[6,6a]S[6]H)	108.5872	0.429	4	108.5872	0.184	4	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[5])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	109.3207	0.068	3	109.3207	0.005	3	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6a])(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]N[6])(C[6]S[6]HH){1|C<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]S[6]H)	111.7730	3.089	2	111.7730	9.540	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]S[6]H)	108.7755	0.067	2	108.7755	0.005	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]S[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]S[6]H)	109.3455	0.054	2	109.3455	0.003	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|O<2>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	H(C[6]C[6,6a]S[6]H)	114.8950	1.298	2	114.8950	1.685	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]S[6]H)	109.2572	0.084	4	109.2572	0.007	4	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6a]S[6]H)	108.5175	0.006	2	108.5175	0.000	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(H)2{1|Si<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]Si[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]S[6]H)	108.2908	0.085	4	108.2908	0.007	4	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|P<4>,2|H<1>}	H(C[6]C[6,6a]S[6]H)	109.2417	0.555	4	109.2417	0.307	4	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6])(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|S<3>,4|H<1>}	H(C[6]C[6,6a]S[6]H)	109.1965	0.022	2	109.1965	0.000	2	109.4992	3.143	31	109.2800	0.469	370	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:1:1:	3:4:3:	4:	C[6,6a]-3:Se[6]-2:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]Se[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Se[6]C[6])(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]Se[6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6]C[6,6a]Se[6]H)	109.5845	0.005	2	109.5845	0.000	2	109.5845	0.000	2	109.5845	0.000	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]O)	118.6460	0.000	1	118.6460	0.000	1	118.6460	0.000	1	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H)	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6,6a]C[6a])(O[6]C[6,6a])(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|Br<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]O)	111.2825	1.556	2	111.2825	2.422	2	111.2825	2.422	2	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(O[6]C[6])(OH)(H){1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]O[6]HO){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]O)	108.5275	0.177	2	108.5275	0.032	2	108.5275	0.032	2	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]2)(O[6]C[5,6])(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]O[6])(C[6]O[6]HO){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]O[6]O)	107.2305	0.125	2	107.2305	0.016	2	107.2305	0.016	2	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[5,6])(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]O[6]O)	108.4280	0.000	1	108.4280	0.000	1	109.1826	1.131	14	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H)	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(OH)(H){1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a,6a]O)(C[6]O[6]HO){4|C<3>}	H(C[6]C[6,6a]O[6]O)	108.9790	0.000	1	108.9790	0.000	1	109.1826	1.131	14	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|I<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]O)	108.7845	0.258	8	108.7845	0.066	8	109.1826	1.131	14	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OC[6])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]O)	110.6790	0.000	1	110.6790	0.000	1	109.1826	1.131	14	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:2:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO)	H(C[6]C[6,6a]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(OO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]HO){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]O[6]O)	110.0650	1.973	3	110.0650	3.894	3	109.1826	1.131	14	109.5850	6.032	21	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:3:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	109.7490	0.000	1	108.5280	1.128	3	108.7258	0.908	4	108.5622	0.815	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:3:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCH)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	107.9175	0.138	2	108.5280	1.128	3	108.7258	0.908	4	108.5622	0.815	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:3:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(COO)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	109.3190	0.000	1	109.3190	0.000	1	108.7258	0.908	4	108.5622	0.815	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:3:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN)	H(C[6]C[6,6a]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(NCC)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]HN){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]N)	107.9080	0.000	1	107.9080	0.000	1	107.9080	0.000	1	108.5622	0.815	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:3:1:	3:4:3:	4:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4545	0.169	2	108.4545	0.029	2	108.4545	0.029	2	108.4545	0.029	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:2:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H)	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]N[6,6a]N[6a])(O[6]C[6])(CCCH)(H){1|H<1>,1|N<2>,2|C<3>}	C[6,6a](N[6,6a]C[6a]N[6])(N[6a]C[6a,6a])(C[6]O[6]CH){1|O<1>,3|C<3>}	H(C[6]C[6,6a]O[6]C)	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	106.9720	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6])(CCHH)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	107.1620	0.000	1	107.1620	0.000	1	106.9620	0.080	2	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6])(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	106.7620	0.000	1	106.7620	0.000	1	106.9620	0.080	2	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	108.3830	0.000	1	108.3830	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	109.0100	0.399	2	109.0100	0.159	2	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6])(CHHS)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]O[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]C)	111.2250	0.000	1	111.2250	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CCHH)(H){1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]O[6]CH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]O[6]C)	107.8210	0.000	1	107.8210	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]O[6]CH){7|C<3>}	H(C[6]C[6,6a]O[6]C)	107.7340	0.028	2	107.7340	0.001	2	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6,6a])(CH3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]O[6]CH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	108.8350	0.000	1	108.8350	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	107.8580	0.000	1	107.8580	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	107.8280	0.000	1	107.8280	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CC[6]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	106.6297	0.324	3	106.6297	0.105	3	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	113.1260	0.000	1	109.6447	9.090	3	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	107.9040	0.000	2	109.6447	9.090	3	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CF3)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]O)(C[6]O[6]CH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]O[6]C)	107.5190	0.000	1	107.5190	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]O[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	106.9460	0.000	1	106.9460	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]O[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]O[6]C)	108.4190	0.000	1	108.4190	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]O[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	108.3130	0.000	1	108.3130	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]O[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	106.9100	0.000	1	106.9100	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(CHHN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	108.1570	0.000	1	108.1570	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[5,6])(CH3)(H){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]C[5,6])(C[6a]O[6a]O)(C[6]O[6]CH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]O[6]C)	107.3160	0.116	3	107.3160	0.013	3	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]N[6])(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6a]O[6]C)	109.8880	0.000	1	109.8880	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:O[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(O[6]P[6])(CCl3)(H){1|H<1>,1|S<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]O[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>}	H(C[6]C[6,6a]O[6]C)	111.8830	0.000	1	111.8830	0.000	1	108.3053	2.546	27	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:2:4:1:	3:3:4:	4:	C[6,6a]-3:S[6]-2:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH)	H(C[6]C[6,6a]S[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6])(CC3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]S[6]C)	105.2740	0.000	1	105.2740	0.000	1	105.2740	0.000	1	108.1147	2.689	30	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:2:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.7745	0.018	2	108.7745	0.000	2	108.7745	0.000	2	108.7745	0.000	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]C)(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	110.0815	0.168	2	110.0815	0.028	2	110.0815	0.028	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7605	0.050	2	109.7605	0.003	2	109.7605	0.003	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[5,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH){1|H<1>,8|C<3>}	H(C[6]C[6,6a]2H)	109.7215	0.030	2	109.7215	0.001	2	109.7215	0.001	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6,6a]HH){1|Pd<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	110.6375	3.905	2	110.6375	15.252	2	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6,6a]HH){1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]2H)	108.1560	0.047	2	108.1560	0.002	2	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	107.9723	0.063	3	107.9512	0.007	10	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HH){1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]2H)	107.9421	0.095	7	107.9512	0.007	10	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Pd)(C[6]C[6,6a]HH){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	104.4140	5.459	2	104.4140	29.799	2	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[5a,6a]C)(C[6]C[6,6a]HH){4|C<3>}	H(C[6]C[6,6a]2H)	108.8798	0.078	4	108.8798	0.006	4	108.0723	4.623	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2H)	108.9060	0.101	3	108.9060	0.010	3	108.9060	0.010	3	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH){2|H<1>,7|C<3>}	H(C[6]C[6,6a]2H)	110.2525	1.423	8	110.2525	2.025	8	110.2525	2.025	8	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6030	0.017	2	108.6030	0.000	2	110.4738	2.884	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	112.0670	0.174	2	112.0670	0.030	2	110.4738	2.884	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	110.7515	1.470	2	110.7515	2.161	2	110.4738	2.884	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|C<4>,7|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3835	0.462	2	108.3835	0.213	2	108.3835	0.213	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4120	0.013	2	109.4120	0.000	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4040	0.000	1	108.4040	0.000	1	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6890	0.000	1	108.8260	0.038	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9630	0.000	1	108.8260	0.038	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0700	0.047	2	108.0700	0.002	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.7008	1.652	11	107.7008	2.730	11	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8165	0.013	2	108.8165	0.000	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3000	0.041	2	109.3000	0.002	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8770	0.011	2	108.8770	0.000	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1910	1.041	2	110.1910	1.083	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5185	2.150	2	106.9605	5.571	4	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	105.4025	1.542	2	106.9605	5.571	4	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8690	0.016	2	108.6963	0.285	7	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6215	0.737	4	108.6963	0.285	7	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6500	0.000	1	108.6963	0.285	7	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6685	0.952	6	108.6685	0.905	6	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4755	0.033	2	108.4755	0.001	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3055	0.056	2	109.3055	0.003	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>}	H(C[6]C[6,6a]C[6]H)	117.0403	2.859	4	117.0403	8.175	4	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2845	0.042	2	109.2845	0.002	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4655	0.025	2	108.6457	0.044	4	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]O)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8260	0.007	2	108.6457	0.044	4	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]N)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9180	0.010	2	108.9180	0.000	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9740	0.186	8	108.9740	0.034	8	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3125	0.028	2	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8210	0.018	2	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6540	0.000	1	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	107.9845	0.028	4	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	108.0332	0.102	6	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	107.9665	0.011	2	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	107.8420	0.018	2	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	108.0457	0.080	4	108.2112	0.197	23	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.4002	0.162	4	109.2120	0.065	14	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	108.6840	0.006	2	109.2120	0.065	14	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.2499	0.087	8	109.2120	0.065	14	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.4260	0.010	2	109.4260	0.000	2	108.9057	3.790	106	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	111.0970	0.638	2	111.0970	0.407	2	110.6885	2.229	4	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2800	2.369	2	110.2800	5.611	2	110.6885	2.229	4	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,3x6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,4x6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.4050	1.065	2	109.4050	1.134	2	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.6730	0.000	1	109.6730	0.000	1	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.8770	0.030	2	108.8770	0.001	2	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.2485	0.029	2	109.2267	0.003	6	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2157	0.059	4	109.2267	0.003	6	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.7645	0.021	2	109.8510	2.190	6	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]2)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	110.3942	1.572	4	109.8510	2.190	6	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.1050	0.008	2	108.8882	0.156	4	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[5,6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.6715	0.528	2	108.8882	0.156	4	109.3455	0.779	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[5,6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	110.6425	4.183	2	110.6425	17.494	2	110.6425	17.494	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.4575	0.062	2	109.2853	0.079	6	109.2853	0.079	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.1993	0.318	4	109.2853	0.079	6	109.2853	0.079	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.9105	0.032	2	108.9105	0.001	2	109.1588	0.038	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]N[6,6]HH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2911	0.084	8	109.2911	0.007	8	109.1588	0.038	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2567	0.081	4	109.2567	0.007	4	109.1588	0.038	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6,6]HH){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.9998	0.201	6	108.9998	0.041	6	109.1588	0.038	20	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]N[6,6]HH){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.6095	0.176	4	108.6095	0.031	4	108.6466	0.252	12	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]P[6,6])(H)2{1|H<1>,2|N<2>,2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6,6]HH){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.6055	0.028	2	109.6055	0.001	2	108.6466	0.252	12	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]H)	108.3517	0.248	6	108.3517	0.062	6	108.6466	0.252	12	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	109.1870	0.013	2	109.5670	0.193	4	109.6750	0.144	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.9470	0.049	2	109.5670	0.193	4	109.6750	0.144	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.8910	0.023	2	109.8910	0.001	2	109.6750	0.144	6	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7390	0.008	2	108.7390	0.000	2	108.7390	0.000	2	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1500	0.000	1	109.1500	0.000	1	109.1500	0.000	1	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[5]C[6])(H)2{2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|B<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2400	0.041	2	109.2400	0.002	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3]C[6])(H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8050	0.042	2	108.8050	0.002	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[4,6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0430	0.017	2	109.0430	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.5185	0.023	2	109.5185	0.001	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1255	0.039	2	109.1255	0.002	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3470	0.018	2	109.3470	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.4270	0.000	1	109.4270	0.000	1	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7215	0.013	2	108.7533	0.002	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.7850	0.018	2	108.7533	0.002	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C[6a])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4833	0.163	3	109.4833	0.027	3	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.8072	0.284	8	109.8072	0.081	8	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5090	0.033	2	109.0047	0.085	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8786	0.135	8	109.0047	0.085	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2345	0.052	2	109.2345	0.003	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3535	0.022	2	109.3535	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4440	0.000	1	109.4440	0.000	1	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.1620	0.064	2	109.1620	0.004	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C[6a])(H)2{1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9500	0.025	2	108.9500	0.001	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]P)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,1|P<4>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.0995	0.030	2	109.0995	0.001	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1615	0.022	2	109.1615	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]B[5])(H)2{1|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4772	0.053	4	109.4772	0.003	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0113	0.259	4	109.0113	0.067	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.9007	0.084	3	109.8658	0.430	11	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	110.2278	0.253	8	109.8658	0.430	11	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1580	0.006	2	109.1580	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1287	0.046	4	109.1287	0.002	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|S<4>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.5300	0.007	2	109.5300	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.9510	0.023	2	109.5810	2.130	8	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4577	1.705	6	109.5810	2.130	8	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8675	0.074	2	108.8675	0.006	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4680	0.025	2	109.3833	0.010	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]2)(H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.2985	0.012	2	109.3833	0.010	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]N[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2325	0.012	2	109.2325	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1830	0.030	2	109.1830	0.001	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]N[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4970	0.000	1	109.4970	0.000	1	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2933	0.464	4	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1433	0.833	3	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0690	0.055	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8820	0.038	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0713	0.425	12	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8762	0.407	6	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	110.0785	0.028	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5563	0.409	8	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8490	0.000	1	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4737	0.487	4	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4170	0.014	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8130	0.010	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9470	0.008	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	108.5535	0.023	2	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1150	0.000	1	109.1990	0.240	53	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9205	0.021	2	109.1672	0.081	5	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ru<9>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.6160	0.000	1	109.1672	0.081	5	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1895	0.013	2	109.1672	0.081	5	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4305	0.033	2	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1347	2.459	4	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.1840	0.048	4	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|F<1>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.4335	0.013	2	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|I<1>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.2920	0.000	1	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.2770	0.188	6	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.2066	0.082	11	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4260	0.087	3	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	108.9222	0.055	4	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.4680	0.000	1	109.2280	0.519	38	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9970	0.017	2	108.9970	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]C)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4265	0.043	2	109.4265	0.002	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]N[6a]N)(C[6]N[6]HH){1|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.8475	0.019	2	109.8475	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	108.5740	0.093	11	108.8017	0.160	15	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4280	0.058	4	108.8017	0.160	15	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.8020	0.052	4	109.5804	0.131	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5160	0.014	2	109.5804	0.131	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8230	0.000	1	109.5804	0.131	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]Mg)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Mg<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.0373	0.025	3	109.0373	0.001	3	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9915	0.016	2	108.9915	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.8735	0.061	4	109.8293	0.007	6	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|S<4>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.7410	0.008	2	109.8293	0.007	6	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2300	0.007	2	109.2300	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]C)(C[6]N[6]HH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.6438	0.321	5	109.6438	0.103	5	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.7230	0.021	4	109.7230	0.000	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3845	0.013	2	109.3845	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|Br<1>,1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4417	0.188	10	109.4322	0.029	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6]HH){1|C<4>,1|I<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3850	0.023	2	109.4322	0.029	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5995	0.089	4	109.4938	0.218	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2152	0.502	4	109.4938	0.218	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5260	1.031	2	109.4938	0.218	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.8075	0.028	2	109.4938	0.218	12	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8485	0.019	2	108.8485	0.000	2	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3158	0.108	5	109.3158	0.012	5	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3545	0.006	2	109.4958	0.190	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.7023	0.044	4	109.4958	0.190	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3485	1.190	2	109.4958	0.190	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3715	0.026	2	109.4958	0.190	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	108.8700	0.024	2	109.2805	0.051	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4220	0.017	2	109.2805	0.051	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3190	0.027	2	109.2805	0.051	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3490	0.000	1	109.2805	0.051	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|N<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.4113	0.113	3	109.2805	0.051	10	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.8603	0.143	22	109.7398	0.057	30	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.3995	0.023	2	109.7398	0.057	30	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4950	0.007	2	109.7398	0.057	30	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.3695	0.048	4	109.7398	0.057	30	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Ge[6])(H)2{1|Cl<1>,1|H<1>,1|P<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]P[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ge<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	107.5460	0.000	1	107.5460	0.000	1	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.4695	0.035	2	109.4077	0.064	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|N<2>,1|O<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9980	0.000	1	109.4077	0.064	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.6945	0.013	2	109.4077	0.064	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]P[6])(H)2{1|H<1>,1|O<2>,1|S<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6,6a]N[6]H)	109.2640	0.044	2	109.4077	0.064	7	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<5>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1055	0.280	6	108.9185	0.129	11	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[3x6]C[6a])(H)2{1|H<1>,1|N<2>,1|P<4>,3|N<3>,4|C<3>}	C[6,6a](C[6,6a]P[3x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.6940	0.330	5	108.9185	0.129	11	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2520	0.406	27	109.2520	0.165	27	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6,6]C[6a])(H)2{1|H<1>,1|O<2>,3|C<3>,3|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	108.1298	1.280	4	108.1298	1.638	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	H(C[6]C[6,6a]N[6]H)	109.6445	0.012	2	109.7685	0.021	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]C)(H)2{1|H<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|P<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.8925	0.029	2	109.7685	0.021	4	109.3102	0.297	380	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	108.9352	3.282	4	108.9352	10.773	4	109.0561	1.711	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3835	0.029	2	109.2104	0.045	10	109.0561	1.711	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6]C)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]H)	109.1671	0.216	8	109.2104	0.045	10	109.0561	1.711	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]C[6a])(H)2{1|O<2>,3|N<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.5170	0.303	3	108.5170	0.092	3	109.0561	1.711	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]P[6,6]H)(H)2{1|O<2>,2|N<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]HH){1|P<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1958	0.161	4	109.1958	0.026	4	109.0561	1.711	21	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[5a,6a]C[5a])(C[6,6a]N[6a]C[6])(C[6]N[6]HH){1|S<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	109.3335	0.017	4	109.3335	0.000	4	109.3335	0.000	4	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6]O)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]S[6]H)	109.1150	0.025	2	109.1150	0.001	2	109.2410	0.021	4	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]S[6]O)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]S[6]HH){1|C<3>,1|O<1>,1|S<2>,4|H<1>}	H(C[6]C[6,6a]S[6]H)	109.3670	0.007	2	109.3670	0.000	2	109.2410	0.021	4	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	N[6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]2)(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6,6])2(C[6]N[6,6]HH){2|C<3>,6|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.6345	0.089	24	108.6345	0.008	24	108.6345	0.008	24	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|P<4>,2|C<4>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<6>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.6960	0.248	4	108.6960	0.062	4	108.3566	0.317	8	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:3:4:	4:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](N[6]Nb[3x3,5,6,6]C[6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|P<4>,1|S<5>,2|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]P[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|Nb<8>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]H)	108.0173	0.608	4	108.0173	0.370	4	108.3566	0.317	8	109.1846	1.208	666	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:2:	4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6]C)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	110.0115	0.005	2	110.0115	0.000	2	110.0115	0.000	2	110.0115	0.000	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[5,6,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HH)(C[6a]C[6a,6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6,6]C[6,6a]H)	109.2387	0.028	3	109.2387	0.001	3	109.2387	0.001	3	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6a]H)	108.8195	0.056	2	108.8195	0.003	2	109.2845	0.538	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6,6a]H)	109.5265	0.056	2	109.5265	0.003	2	109.2845	0.538	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6,6a]H)	108.7673	0.127	4	108.7673	0.016	4	109.2845	0.538	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]H)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6,6a]H)	110.5420	0.042	2	110.5420	0.002	2	109.2845	0.538	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[3x6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[3x6]2)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[3x6]H)	109.0848	0.083	13	109.0848	0.007	13	109.0848	0.007	13	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.8755	0.008	2	109.8755	0.000	2	109.6658	0.096	5	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|C<4>,1|P<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.1270	0.000	1	109.1270	0.000	1	109.6658	0.096	5	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.7255	0.009	2	109.7255	0.000	2	109.6658	0.096	5	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.6005	0.008	2	108.5575	0.004	4	108.8359	0.159	14	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5145	0.064	2	108.5575	0.004	4	108.8359	0.159	14	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3270	0.017	2	109.3270	0.000	2	108.8359	0.159	14	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5370	0.023	2	109.5370	0.001	2	108.8359	0.159	14	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(H)2{1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6242	0.050	6	108.6242	0.003	6	108.8359	0.159	14	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6,6a]C[6a])2(H)2{1|B<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]B[3x6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	107.5714	0.217	27	107.5714	0.047	27	107.5714	0.047	27	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2H)	109.7120	0.016	2	109.7120	0.000	2	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.1970	0.034	2	109.1970	0.001	2	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6a]HH)(C[6a]O[6a]O){4|C<3>}	H(C[6]C[6,6a]2H)	109.7990	0.033	2	109.7990	0.001	2	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){1|O<2>,2|F<1>,3|C<3>}	H(C[6]C[6,6a]2H)	108.2945	1.903	4	108.3261	1.911	8	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|B<3>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]C[6,6a]HH)(C[6a]C[6a]F){2|F<1>,4|C<3>}	H(C[6]C[6,6a]2H)	108.3577	0.915	4	108.3261	1.911	8	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	109.3987	0.220	10	109.3987	0.049	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	109.3720	4.616	2	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	108.9240	0.061	7	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<5>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2H)	108.5815	0.141	8	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2H)	108.4035	0.016	4	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	109.2322	0.026	4	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	108.4057	0.033	4	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.4465	0.247	12	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	108.1510	0.010	2	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Pd<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	113.6250	2.649	2	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	109.2225	0.029	4	109.1394	1.662	49	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	110.5745	1.266	4	109.4179	1.334	25	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]2H)	110.2837	0.026	3	109.4179	1.334	25	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){3|C<3>,4|H<1>}	H(C[6]C[6,6a]2H)	108.5803	0.012	3	109.4179	1.334	25	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6,6a]2H)	110.7645	0.566	4	109.4179	1.334	25	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	108.5000	0.044	11	109.4179	1.334	25	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|Si<4>,1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HH)(C[6a]C[6a]Si){1|Si<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.2470	0.062	4	109.2470	0.004	4	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Mn<6>,1|H<1>,1|P<4>,3|C<3>}	H(C[6]C[6,6a]2H)	109.2458	0.056	4	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<5>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	110.1275	0.051	4	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|Ru<6>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	109.9860	0.066	3	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.2115	0.021	2	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]2H)	108.9697	3.347	6	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|N<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|B<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2H)	109.6295	0.161	4	109.4874	2.753	23	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[5,6a]H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.0825	0.077	2	109.0825	0.006	2	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	109.1460	0.023	2	109.1460	0.001	2	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]2H)	109.1575	0.012	2	109.1598	0.040	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	109.3465	0.035	2	109.1598	0.040	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	109.2165	0.043	2	109.1598	0.040	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6]C[6,6a]2H)	109.2145	0.005	2	109.1598	0.040	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2H)	108.8640	0.318	2	109.1598	0.040	10	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(H)2	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N)	H(C[6]C[6,6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])2(H)2{1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HH)(C[6a]N[6a]N){3|C<3>}	H(C[6]C[6,6a]2H)	109.3360	0.000	1	109.3360	0.000	1	109.2420	1.420	140	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[4,6]C[4,6]C[4])(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[4,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]N[4,6]H)	110.4205	0.019	2	110.4205	0.000	2	110.4205	0.000	2	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	110.4610	0.276	2	110.4610	0.076	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.4105	0.070	4	109.3238	0.021	6	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[5,6])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1505	0.006	2	109.3238	0.021	6	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1817	0.240	4	109.4446	0.237	7	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1630	0.000	1	109.4446	0.237	7	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	110.1110	0.054	2	109.4446	0.237	7	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.5730	0.052	2	108.5730	0.003	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.3020	0.033	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.9550	0.008	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2825	0.026	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2473	0.166	8	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.1232	0.037	4	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.9975	0.037	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.5200	0.000	1	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.4580	0.023	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{2|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.0090	0.016	2	109.2000	0.033	25	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.4885	0.012	2	109.4885	0.000	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]F){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.7490	0.006	2	109.7490	0.000	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.8875	0.005	2	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.7080	0.000	1	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	110.0685	0.366	2	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.6310	0.000	1	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.9100	0.000	1	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	111.1510	2.147	2	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.7635	0.021	2	109.9082	1.062	11	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	108.5923	0.120	4	108.5923	0.014	4	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.8165	0.054	2	109.8165	0.003	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.7975	0.026	2	109.7975	0.001	2	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.3955	0.045	2	109.4216	0.010	8	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.2875	0.008	2	109.4216	0.010	8	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[6,6a]N[5,6]H)	109.5018	0.033	4	109.4216	0.010	8	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.3090	0.103	4	109.3090	0.011	4	109.3999	0.319	77	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]2){1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	108.9045	0.012	2	108.9045	0.000	2	109.3262	0.061	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[5a,6]H)	109.4693	0.116	6	109.4693	0.013	6	109.3262	0.061	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(H)2{1|H<1>,1|S<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	109.3185	0.043	2	109.3185	0.002	2	109.3262	0.061	10	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[5,6]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2535	0.009	2	109.2535	0.000	2	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]2)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.0370	0.000	1	109.0370	0.000	1	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2140	0.007	2	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.7485	0.013	2	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.6375	0.134	2	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	105.3370	5.713	2	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.8580	0.064	2	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2640	0.067	5	108.6607	4.229	15	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	111.2975	1.295	2	108.7858	5.479	12	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.9310	0.007	2	108.7858	5.479	12	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.9612	1.270	6	108.7858	5.479	12	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	105.6025	4.174	2	108.7858	5.479	12	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|H<1>,2|C<3>,2|C<4>,2|N<2>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.3250	0.017	2	109.1112	0.028	6	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.0042	0.027	4	109.1112	0.028	6	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.2950	0.000	1	108.3770	0.095	4	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.4043	0.372	3	108.3770	0.095	4	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|Br<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]Br){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.2965	0.006	2	109.2965	0.000	2	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|F<1>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]F){2|C<3>,2|C<4>,2|F<1>}	H(C[6]C[6,6a]N[6,6]H)	109.3752	1.114	4	109.3752	1.242	4	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.2287	0.096	4	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<3>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.3620	0.052	3	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.3450	0.089	8	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.0422	0.094	10	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.1935	0.005	2	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.2578	0.109	18	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	110.4271	3.267	19	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.0076	0.871	32	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.6751	0.372	22	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.1681	0.136	51	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6,6]H)	109.2415	0.144	22	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.9797	0.057	3	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|S<3>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.8894	0.290	7	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Se<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.0300	0.038	4	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|Br<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.0675	0.057	4	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.3395	0.021	4	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.1610	0.010	2	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.6065	0.046	2	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{1|N<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.2860	0.057	3	109.2164	1.181	220	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]N){1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.1340	0.016	3	109.1340	0.000	3	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]P[6,6]C[6])(H)2{3|C<3>,3|H<1>,4|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<5>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	108.7670	0.030	4	108.7670	0.001	4	109.1474	1.440	273	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]O[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){1|Br<1>,2|Ge<3>,1|C<3>,1|H<1>}	H(C[6]C[6,6a]O[4,6]H)	109.4470	0.014	2	109.5112	0.007	4	109.5112	0.007	4	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	C[6,6a]-3:O[4,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]O[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(O[4,6]Ge[4,6]2)(H)2{1|H<1>,1|O<3>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]O[4,6]HH)(C[6a]C[6a]H){2|Ge<3>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[6,6a]O[4,6]H)	109.5755	0.057	2	109.5112	0.007	4	109.5112	0.007	4	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	109.7180	0.058	4	109.7180	0.003	4	111.0527	4.683	6	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:1:1:	3:4:3:	4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a,6]H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[5a,6]H)	113.7220	1.424	2	113.7220	2.028	2	111.0527	4.683	6	109.1584	1.283	584	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:2:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]N[6,6a]N[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]N[6]HO){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]O)	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS)	H(C[6]C[6,6a]2S)	C[6](C[6,6a]C[6,6a]C[6a])2(SC)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6a]HS){1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2S)	109.3910	0.954	4	109.3910	0.910	4	109.3910	0.910	4	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NS)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N)	112.0800	0.000	1	112.0800	0.000	1	112.0800	0.000	1	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	110.3370	0.000	1	108.6945	5.396	2	108.6740	1.364	5	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0520	0.000	1	108.6945	5.396	2	108.6740	1.364	5	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(OC[6a])(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.8470	0.000	1	108.8470	0.000	1	108.6740	1.364	5	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(OH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5670	0.086	2	108.5670	0.007	2	108.6740	1.364	5	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]S)	107.7630	0.000	1	107.6250	0.038	2	108.1395	0.404	4	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]S)	107.4870	0.000	1	107.6250	0.038	2	108.1395	0.404	4	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(SC)(H){1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]S)	108.6540	0.341	2	108.6540	0.116	2	108.1395	0.404	4	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6a]O[6]H){8|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CN)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.4230	0.000	1	108.4230	0.000	1	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]N[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	112.0500	0.000	1	112.0500	0.000	1	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2470	0.000	1	108.0048	0.047	5	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8200	0.000	1	108.0048	0.047	5	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9857	0.215	3	108.0048	0.047	5	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.5735	0.433	2	108.5735	0.188	2	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8910	0.000	1	107.9202	0.013	5	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9275	0.129	4	107.9202	0.013	5	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CN)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.4220	0.000	1	108.4220	0.000	1	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	109.4150	0.000	1	109.4150	0.000	1	108.4426	1.116	16	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(OC)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]HO){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]O)	108.4210	0.304	2	108.4210	0.092	2	108.4210	0.092	2	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]N[6]O)	109.1960	0.000	1	109.1960	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]O)	112.1050	0.000	1	112.1050	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OC)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HO){2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]O)	107.3430	0.000	1	107.3430	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]N[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]N[6]O)	108.1920	0.000	1	108.1920	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(OC[6a])(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[6]O)	107.8000	0.000	1	107.8000	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(OC)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]O)	109.1350	0.000	1	109.1350	0.000	1	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]C)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|C<3>,1|H<1>,1|S<4>,2|C<4>}	H(C[6]C[6,6a]N[6]O)	108.6975	0.854	4	108.6975	0.730	4	108.8561	1.876	10	108.6718	1.491	43	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a])	H(C[6]C[6,6a]2S)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HS)(N[6a]O[6a]){5|C<3>}	H(C[6]C[6,6a]2S)	109.8660	0.000	1	109.8660	0.000	1	109.8660	0.000	1	108.3497	1.760	3	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:2:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.4030	0.000	1	107.5915	0.071	2	107.5915	0.071	2	108.3497	1.760	3	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:2:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a])	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6a]C[6a]){1|C<2>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.7800	0.000	1	107.5915	0.071	2	107.5915	0.071	2	108.3497	1.760	3	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC)(H){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]C){3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6,6a]C)	107.9740	0.088	2	107.9740	0.008	2	107.9740	0.008	2	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]O[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5a]O[6])	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6])(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.9060	0.000	1	107.9060	0.000	1	107.9060	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	H(C[6]C[6,6a]2N)	C[6](C[6,6a]C[6,6a]C[6a])2(NC)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2N)	107.6755	0.751	4	107.6755	0.565	4	107.6755	0.565	4	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]2O)	107.6420	0.006	2	108.1540	0.724	4	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]2O)	108.6660	1.059	2	108.1540	0.724	4	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2O)	109.7520	0.007	2	109.1964	0.135	12	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){1|C<4>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2O)	109.2037	0.142	4	109.1964	0.135	12	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2O)	109.2915	0.016	2	109.1964	0.135	12	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])2(OH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HO)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2O)	108.8637	0.340	4	109.1964	0.135	12	108.9358	0.461	16	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O)	H(C[6]C[6,6a]2S)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6,6a]C[6,6a]C[6a])(SC)(H){2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HS)(C[6a]C[6a]O){1|H<1>,1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]2S)	111.3850	0.000	1	111.3850	0.000	1	108.4752	2.801	5	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H)	H(C[6]C[6,6a]2S)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2S)	107.7510	0.563	2	107.7510	0.317	2	108.4752	2.801	5	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N)	H(C[6]C[6,6a]2S)	C[6](C[6,6a]C[6,6a]C[6a])2(SC[6a])(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6,6a]HS)(C[6a]C[6a]N){1|C<2>,3|C<3>}	H(C[6]C[6,6a]2S)	107.7445	0.549	2	107.7445	0.302	2	108.4752	2.801	5	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(N[6]S[6])(H){1|H<1>,1|O<2>,3|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	110.0960	0.000	1	110.0960	0.000	1	110.0960	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.0590	0.000	1	108.9950	0.008	2	108.9950	0.008	2	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.9310	0.000	1	108.9950	0.008	2	108.9950	0.008	2	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]O[6])	107.9643	0.289	3	107.5153	0.862	4	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]O[6])	106.1680	0.000	1	107.5153	0.862	4	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.1060	0.000	1	108.1060	0.000	1	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a,6a]P){7|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.2860	0.000	1	107.2860	0.000	1	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	109.0100	0.000	1	109.0100	0.000	1	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.8700	0.000	1	108.8700	0.000	1	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]O[6])	107.6410	0.000	1	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.9500	0.000	1	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.9700	0.576	4	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4500	0.000	1	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]O[6])	108.4835	0.124	2	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.6075	0.941	2	108.0094	0.301	11	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.4940	0.000	1	107.2573	1.395	3	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	105.9760	0.000	1	107.2573	1.395	3	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.3020	0.000	1	107.2573	1.395	3	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.1270	0.000	1	108.1270	0.000	1	107.8841	0.590	23	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]S[6a])(C[6]C[6a]S[6]H)(C[6a]C[6a,6a]O){6|C<3>}	H(C[6]C[6,6a]C[6a]S[6])	105.8290	0.467	2	105.8290	0.218	2	105.8290	0.218	2	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]O)	107.0650	0.000	1	107.0650	0.000	1	107.0650	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]N[5]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5]O[6]H)(C[6a]C[6a]C){1|C<4>,1|N<3>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5]O[6])	106.7760	0.000	1	106.7760	0.000	1	106.7760	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(O[6]C[6])(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]O[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5a]O[6])	107.2280	0.000	1	107.2280	0.000	1	107.2280	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6a]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6a]O)	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:O[6]-2:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6]O[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[6]C[6]2)(O[6]C[6])(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[6]O[6]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]N[6]O[6])	107.4900	0.000	1	107.4900	0.000	1	107.4900	0.000	1	108.1562	1.145	62	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[5a,6]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CCC)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|N<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[5a,6]CH){4|C<3>}	H(C[6]C[5a,6]C[6,6a]C)	107.9260	0.000	1	107.9260	0.000	1	107.9260	0.000	1	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6]P[6])(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	H(C[6]C[6,6a]C[6]C)	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.9470	0.000	1	108.7110	0.111	2	108.7110	0.111	2	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H){1|N<2>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.4750	0.000	1	108.7110	0.111	2	108.7110	0.111	2	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8740	0.062	2	107.8740	0.004	2	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|C<3>,1|N<3>,1|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.8880	0.000	1	108.8880	0.000	1	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(COO)(H){1|O<1>,1|O<2>,3|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]CH){2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	109.5640	0.000	1	109.5640	0.000	1	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	110.5760	0.000	1	110.5760	0.000	1	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[5]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.6590	0.000	1	107.6590	0.000	1	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CC[6]P)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.2170	0.000	1	109.2170	0.000	1	108.8074	1.157	7	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CCH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(C[6]C[6]H)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]2H){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]2)	90.1934	0.263	2	90.1934	0.069	2	90.1934	0.069	2	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.2830	0.000	1	107.2830	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	106.6500	0.000	1	106.6500	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	107.6290	0.000	1	107.6290	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(NCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.1400	0.000	1	107.1400	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NCS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	109.8410	0.000	1	109.8410	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(NC[6a]S)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	109.9640	0.000	1	109.9640	0.000	1	108.0845	2.084	6	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4705	0.146	2	107.9146	0.209	14	108.1245	0.993	18	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5290	0.000	1	107.9146	0.209	14	108.1245	0.993	18	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<2>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7279	0.505	7	107.9146	0.209	14	108.1245	0.993	18	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0600	0.161	4	107.9146	0.209	14	108.1245	0.993	18	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.8590	1.947	4	108.8590	3.792	4	108.1245	0.993	18	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9260	0.000	1	107.0657	0.027	3	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.1355	0.156	2	107.0657	0.027	3	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.0800	0.000	1	107.9091	0.816	10	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.7300	0.000	1	107.9091	0.816	10	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.5955	0.955	2	107.9091	0.816	10	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.2220	0.000	1	107.9091	0.816	10	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5736	0.931	5	107.9091	0.816	10	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|P<5>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9755	0.561	2	106.9755	0.314	2	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.0830	0.000	1	107.0747	0.321	7	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3086	0.398	5	107.0747	0.321	7	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H){1|C<4>,1|P<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8970	0.000	1	107.0747	0.321	7	107.4437	0.649	22	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]H)(COO)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]N[6]C)	106.7980	0.000	1	106.7980	0.000	1	106.7980	0.000	1	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CNO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	107.8780	0.000	1	107.8780	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCN)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	106.1370	0.000	1	106.1370	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	108.3720	0.000	1	108.2725	0.020	2	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.1730	0.000	1	108.2725	0.020	2	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CNP)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.8120	0.000	1	108.8120	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CNO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	108.1880	0.000	1	108.1880	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	108.6190	0.000	1	108.6190	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.3630	0.000	1	108.3630	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCC)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	106.6840	0.000	1	106.6840	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CNO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.7910	0.000	1	107.7910	0.000	1	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8957	0.572	4	107.8957	0.328	4	107.9000	0.579	14	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6]C[6a]C[6])(COO)(H){1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]N[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.1510	0.000	1	108.1510	0.000	1	108.1510	0.000	1	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]N)	107.2840	0.000	1	107.2840	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NCN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[6]N)	106.0010	0.000	1	106.0010	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(NC[6a]S)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[6]N)	106.9530	0.000	1	106.9530	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(NCS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]N)	106.5290	0.000	1	106.5290	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HN){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]N)	107.9035	0.211	2	107.9035	0.045	2	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(NC[6a]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]N)	105.2340	0.000	1	105.2340	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(NHN)(H){1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]N)	111.6180	0.000	1	111.6180	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(NCN)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]N)	106.7060	0.000	1	106.7060	0.000	1	107.3480	3.303	9	107.4837	8.513	85	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:2:	4:	C[6,6a]-3:N[5]-3:N[6]-3:H-1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H)	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a])	H(C[6]C[6,6a]N[5]N[6])	C[6](C[6,6a]N[6,6a]N[6a])(N[5]C[5,5]C[5])(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]N[5]N[6]H)(N[6a]C[6a,6a]){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[5]N[6])	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9187	0.407	3	107.8010	0.166	4	107.8010	0.166	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4480	0.000	1	107.8010	0.166	4	107.8010	0.166	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.0830	0.000	1	108.2295	0.043	2	108.2295	0.043	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.3760	0.000	1	108.2295	0.043	2	108.2295	0.043	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.0770	0.000	1	107.0770	0.000	1	107.6317	0.357	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|S<2>,5|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.9090	0.502	2	107.9090	0.252	2	107.6317	0.357	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	106.3980	0.000	1	106.3980	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	107.1715	2.156	2	107.1715	4.648	2	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	107.8040	0.000	1	107.8040	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|N<2>,1|N<3>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.8280	0.000	1	108.8280	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	107.2270	0.000	1	107.2270	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a,6a]C[5a])(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	107.7875	0.531	2	107.7875	0.282	2	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.9630	0.000	1	108.5042	0.821	5	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	108.5963	1.119	3	108.5042	0.821	5	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	107.7690	0.000	1	108.5042	0.821	5	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]2)(N[6]C[6]N)(H){2|C<3>,2|C<4>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	110.3840	0.000	1	110.3840	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]N[5a]O[5a])(N[6]C[6]N)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	108.3140	0.000	1	108.3140	0.000	1	108.0929	1.463	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6])	107.3980	0.000	1	107.3980	0.000	1	106.9958	0.139	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6])	106.8670	0.000	1	106.8617	0.101	3	106.9958	0.139	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6])	106.5420	0.000	1	106.8617	0.101	3	106.9958	0.139	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6])	107.1760	0.000	1	106.8617	0.101	3	106.9958	0.139	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6190	0.000	1	107.6190	0.000	1	108.0180	0.172	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2175	0.325	2	108.2175	0.105	2	108.0180	0.172	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.1935	0.087	2	108.1935	0.008	2	108.1935	0.008	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6800	0.000	1	107.6800	0.000	1	108.5636	0.392	8	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5940	0.000	1	108.6899	0.309	7	108.5636	0.392	8	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.8725	0.300	6	108.6899	0.309	7	108.5636	0.392	8	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:B-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2B)	C[6](C[6,6a]C[6,6a]C[6a])2(BPtN)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]BH)(C[6a]C[6a]H){1|B<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2B)	109.9705	0.596	4	109.9705	0.356	4	109.9705	0.356	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,4|C<3>}	H(C[6]C[6,6a]2C)	108.4505	0.595	2	108.4622	0.238	4	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCH)(H){3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.4740	0.600	2	108.4622	0.238	4	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CNO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	109.5515	0.015	2	109.5515	0.000	2	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2C)	105.5790	0.000	1	105.5790	0.000	1	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(COO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.5327	0.126	6	108.5327	0.016	6	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(COS)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	108.3000	0.006	2	108.3000	0.000	2	108.4218	0.824	15	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6]C[6])(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	109.7700	12.189	2	109.7700	148.574	2	109.7700	148.574	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	90.0979	0.000	1	90.0979	0.000	1	90.0979	0.000	1	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a,6a]C[5,6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){8|C<3>}	H(C[6]C[6,6a]2C[6a])	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a,6a]H){1|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	105.3480	0.000	1	105.3480	0.000	1	107.9480	5.070	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.2480	0.010	2	109.2480	0.000	2	107.9480	5.070	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	108.5660	0.000	1	108.5660	0.000	1	108.3967	2.735	9	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6]){3|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	108.2430	0.047	2	108.2430	0.002	2	108.3967	2.735	9	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6]){2|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	108.4197	2.088	6	108.4197	4.359	6	108.3967	2.735	9	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O)	H(C[6]C[6,6a]2N)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)(H){2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2N)	107.4992	0.949	16	107.4992	0.901	16	107.6495	0.963	19	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]2N)	C[6](C[6,6a]C[6,6a]C[6a])2(NC[6a]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]HN)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2N)	108.4510	0.874	3	108.4510	0.764	3	107.6495	0.963	19	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<2>,1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0810	0.000	1	108.2030	0.030	2	108.2030	0.030	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]S[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|C<4>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3250	0.000	1	108.2030	0.030	2	108.2030	0.030	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3820	0.000	1	108.3820	0.000	1	108.3820	0.000	1	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2030	0.000	1	108.2030	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5850	0.000	1	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4650	0.000	1	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1900	0.486	2	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9073	0.158	3	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7475	0.173	2	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6470	0.247	5	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0320	0.014	2	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9000	0.000	1	107.7556	0.213	17	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4137	0.295	4	108.4021	0.080	8	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3905	0.315	4	108.4021	0.080	8	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3070	0.000	1	107.3070	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5060	0.000	1	107.5060	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.0660	0.000	1	106.6740	0.739	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2820	0.000	1	106.6740	0.739	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3290	0.220	6	107.3290	0.048	6	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1030	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4590	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5720	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2350	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6080	0.209	2	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8240	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6270	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9440	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2680	0.000	1	107.5248	0.536	10	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3900	0.000	1	108.3900	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9110	0.000	1	107.9110	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1710	0.000	1	108.1710	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5400	0.000	1	108.5400	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2800	0.303	2	108.2800	0.092	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2320	0.000	1	108.2320	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5390	0.000	1	108.5655	0.001	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5920	0.000	1	108.5655	0.001	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6,6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3603	0.512	6	107.3603	0.262	6	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1377	0.567	6	107.1377	0.322	6	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4920	0.000	1	108.4920	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2440	0.000	1	108.1120	0.035	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9800	0.000	1	108.1120	0.035	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4030	0.000	1	106.4030	0.000	1	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]Cl){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8855	0.548	2	107.8855	0.300	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9327	0.278	3	108.2585	0.476	4	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	109.2360	0.000	1	108.2585	0.476	4	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2380	0.000	1	107.9025	0.225	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5670	0.000	1	107.9025	0.225	2	107.7506	0.420	79	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2735	2.303	2	106.2735	5.304	2	106.2735	5.304	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	110.9940	0.000	1	110.9940	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	108.3845	0.361	2	107.6733	0.657	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5590	0.000	1	107.6733	0.657	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	108.0967	0.651	3	107.6733	0.657	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.5885	0.446	2	107.6733	0.657	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2650	0.000	1	107.6733	0.657	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5410	0.000	1	107.5410	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.3930	0.618	2	106.3930	0.382	2	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2000	0.000	1	106.2000	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.4330	0.000	1	107.1100	1.434	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	105.6490	0.000	1	107.1100	1.434	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.4230	1.464	5	107.1100	1.434	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.8965	0.276	2	107.1100	1.434	9	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.9740	0.000	1	107.8340	0.039	2	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.6940	0.000	1	107.8340	0.039	2	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.7960	0.000	1	108.7960	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9230	0.000	1	106.9230	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]S[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	105.0980	0.000	1	105.0980	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8210	0.000	1	106.8210	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5780	0.000	1	106.5780	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8290	0.387	4	106.8290	0.149	4	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]C){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3700	0.000	1	107.3700	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.7850	0.000	1	107.4740	0.591	4	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3940	0.000	1	107.4740	0.591	4	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.1530	0.000	1	107.4740	0.591	4	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.5640	0.000	1	107.4740	0.591	4	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.4750	0.000	1	108.4750	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8710	0.000	1	106.8710	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|Cl<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.1380	0.000	1	108.1380	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	108.1300	0.000	1	108.1300	0.000	1	107.3640	1.187	43	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.5190	0.089	2	108.5190	0.008	2	108.4645	0.031	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.4100	0.269	2	108.4100	0.072	2	108.4645	0.031	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]N[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3640	0.000	1	107.3640	0.000	1	107.3640	0.000	1	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6])	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]C[6]){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3140	0.000	1	107.3140	0.000	1	107.3945	0.013	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.4750	0.000	1	107.4750	0.000	1	107.3945	0.013	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	107.2398	0.656	6	107.2294	0.319	8	107.2294	0.319	8	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	107.1980	0.283	2	107.2294	0.319	8	107.2294	0.319	8	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5a]N[6])	108.2510	0.129	2	108.2510	0.017	2	108.0898	0.895	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(N[6]C[6]N)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5a]N[6])	106.7960	0.000	1	106.7960	0.000	1	108.0898	0.895	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(N[6]C[5]C[6])(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[5a]N[6])	109.0610	0.000	1	109.0610	0.000	1	108.0898	0.895	4	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CNO)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6,6]C)	107.9480	0.000	1	107.9480	0.000	1	107.9480	0.000	1	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.8620	0.057	2	107.0349	0.191	7	107.0349	0.191	7	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.4130	0.412	3	107.0349	0.191	7	107.0349	0.191	7	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]O[6]){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.6405	0.039	2	107.0349	0.191	7	107.0349	0.191	7	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H)	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[3x6])(NC[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]N[3x6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]N)	108.0165	0.015	2	108.0165	0.000	2	108.4063	0.456	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(NHS)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HN)(C[6a]C[6a]H){2|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6,6]N)	109.1860	0.000	1	109.1860	0.000	1	108.4063	0.456	3	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.5260	0.000	1	107.2580	0.144	2	107.2580	0.144	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	106.9900	0.000	1	107.2580	0.144	2	107.2580	0.144	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	107.5190	0.000	1	106.6145	1.636	2	107.9396	1.938	5	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6])(C[5a]N[5a]2)(H){2|C<4>,2|N<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5a]N[6])	105.7100	0.000	1	106.6145	1.636	2	107.9396	1.938	5	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[5a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[5a]N[5a]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]N[6]H)(C[6a]C[6a]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]N[6])	108.8230	0.364	3	108.8230	0.132	3	107.9396	1.938	5	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6630	0.000	1	107.6630	0.000	1	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3810	0.000	1	107.3810	0.000	1	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.7300	0.000	1	108.7300	0.000	1	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2450	0.000	1	107.4500	0.084	2	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a,6a]C){1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6550	0.000	1	107.4500	0.084	2	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.5741	0.627	14	107.5534	1.731	29	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	108.9020	0.000	1	107.5534	1.731	29	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	109.1030	0.078	2	107.5534	1.731	29	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.7777	0.621	3	107.5534	1.731	29	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.2857	2.046	9	107.5534	1.731	29	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	110.0870	0.000	1	110.0870	0.000	1	107.6517	1.649	35	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	3:4:3:	4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a,6]C[6a])	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(C[6a]C[6a]H){2|C<2>,6|C<3>}	H(C[6]C[6,6a]N[5a,6]C[6a])	108.2390	0.147	2	108.2390	0.022	2	108.2390	0.022	2	107.7305	2.659	296	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N)	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]C[6,6a]N){1|C<4>,5|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.5370	0.000	1	108.5370	0.000	1	108.3055	0.107	2	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6,6a](C[6]C[5a,6]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){6|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.0740	0.000	1	108.0740	0.000	1	108.3055	0.107	2	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.0130	0.000	1	108.0130	0.000	1	108.0130	0.000	1	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5a]-3:C[6,6]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6,6]C[6,6]C[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[5a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[5a])	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.0717	0.182	3	108.1238	0.033	4	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[5,6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2800	0.000	1	108.1238	0.033	4	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.3000	0.000	1	108.3000	0.000	1	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]C){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6840	0.000	1	107.6840	0.000	1	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2490	0.000	1	107.6570	0.834	3	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6050	0.000	1	107.6570	0.834	3	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.1170	0.000	1	107.6570	0.834	3	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6280	0.000	1	108.6995	0.609	4	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	109.0567	0.385	3	108.6995	0.609	4	108.1729	0.481	13	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5])(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[5])	106.5675	1.238	2	106.5675	1.533	2	106.5675	1.533	2	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]O[5a])(H){1|S<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]2C[5a])	106.4775	0.012	2	106.4775	0.000	2	107.6870	1.101	6	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]S[5a])(H){1|H<1>,2|O<2>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2C[5a])	108.2918	0.610	4	108.2918	0.372	4	107.6870	1.101	6	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	90.1194	0.000	1	90.1194	0.000	1	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	105.8920	0.000	1	106.3352	0.798	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.4238	0.969	5	106.3352	0.798	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.1457	0.340	4	107.1525	0.079	10	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.1570	0.270	6	107.1525	0.079	10	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.1235	0.220	2	108.9163	0.393	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.2290	0.024	2	108.9163	0.393	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.3965	0.057	2	108.9163	0.393	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]I[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.1590	0.000	1	106.1590	0.000	1	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.0718	0.693	4	108.5030	0.599	8	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Li<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.1375	0.019	2	108.5030	0.599	8	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6a])	107.7310	0.010	2	108.5030	0.599	8	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6a])	108.0945	0.011	2	108.0945	0.000	2	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.3810	0.000	1	107.0780	0.113	4	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.3570	0.000	1	107.0780	0.113	4	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.7870	0.033	2	107.0780	0.113	4	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.9240	0.000	1	108.9807	0.004	3	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]O[6a]O){1|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.0090	0.052	2	108.9807	0.004	3	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6a])	106.7505	0.021	2	107.0880	0.069	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]C[6a]P[6])(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	107.2568	0.033	4	107.0880	0.069	6	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]N){5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.9750	0.000	1	108.9750	0.000	1	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.4250	0.000	1	107.4070	0.001	2	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.3890	0.000	1	107.4070	0.001	2	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6]C[6,6a]C[6a]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.5490	0.000	1	108.5490	0.000	1	107.3264	7.113	51	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H)	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]N[6,6]C[5a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[5a]C[5a]S[5a])(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6]N[6,6]C[5a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|S<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]C[5a])	108.4120	0.270	2	108.4120	0.073	2	108.4120	0.073	2	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.2130	0.000	1	108.2130	0.000	1	108.1850	0.097	4	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.9555	0.019	2	107.9555	0.000	2	108.1850	0.097	4	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6]N[6,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.6160	0.000	1	108.6160	0.000	1	108.1850	0.097	4	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6,6a](C[6]N[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|Si<5>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	105.6685	1.488	2	105.6685	2.216	2	105.6685	2.216	2	107.5255	4.726	84	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]O[6])(C[6]C[6,6]CH){2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.5960	0.000	1	108.5960	0.000	1	108.5960	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCCH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6,6a]O)(C[6]C[6,6]CH){1|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.1210	0.000	1	108.1210	0.000	1	108.1210	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H)	H(C[6]C[6,6a]C[6,6]C[6])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6]C[6]2H)(H){1|N<3>,1|O<1>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]N[6])(C[6]C[6,6]C[6]H){1|N<2>,1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6])	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6a,6a]C[6,6a])2(CH3)(H){1|N<3>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH){3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C)	108.8075	0.118	2	108.8075	0.014	2	108.8075	0.014	2	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]N[6]O)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.1030	0.544	3	107.1030	0.296	3	107.1030	0.296	3	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]H)(CCl2C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5080	0.000	1	107.5080	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1860	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2830	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5960	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.4250	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	111.6380	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Br<1>,1|C<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.4730	0.000	1	108.1002	3.025	6	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.6430	0.000	1	108.6430	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8990	0.000	1	107.9817	0.699	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0230	1.178	2	107.9817	0.699	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CCHO)(H){1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	109.5920	0.000	1	109.5920	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]CN)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8415	0.016	2	107.8415	0.000	2	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.9900	0.471	2	106.7077	0.350	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.1430	0.000	1	106.7077	0.350	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2560	0.000	1	108.2560	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7773	0.236	3	107.7773	0.056	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2545	0.767	2	107.2545	0.589	2	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	105.5070	0.000	1	105.5070	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7620	0.000	1	107.7620	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CC[5a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4470	0.000	1	108.4470	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.1270	0.000	1	106.8090	0.202	2	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(CHHN)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|Cl<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4910	0.000	1	106.8090	0.202	2	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.4510	0.000	1	106.4510	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)(H){1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6]C[6,6a]C[6]C)	107.9530	0.345	3	107.9530	0.119	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4500	0.000	2	108.4500	0.000	2	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.3245	0.521	2	106.5807	0.333	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]O)(CH3)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<2>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]C)	107.0930	0.000	1	106.5807	0.333	3	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	110.2010	0.000	1	110.2010	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.3790	0.000	1	106.3790	0.000	1	107.6682	1.316	39	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]O)(CCHH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]N[6])(C[6]C[6]CH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	107.2240	0.000	1	107.2240	0.000	1	107.1433	0.234	3	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|I<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	106.6240	0.000	1	106.6240	0.000	1	107.1433	0.234	3	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]2)	107.5820	0.000	1	107.5820	0.000	1	107.1433	0.234	3	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(SC[6a]OO)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]S)	108.0590	0.000	1	108.0590	0.000	1	108.0590	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0440	0.000	1	107.0440	0.000	1	107.0440	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4070	0.000	1	107.4070	0.000	1	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1030	0.000	1	107.5510	0.401	2	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9990	0.000	1	107.5510	0.401	2	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6990	0.000	1	106.6990	0.000	1	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H){1|P<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9040	0.000	1	107.9040	0.000	1	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|O<2>,1|S<4>,2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.0905	0.373	2	106.7394	0.498	9	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|S<4>,2|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6038	0.444	5	106.7394	0.498	9	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,1|S<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7275	0.409	2	106.7394	0.498	9	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H){1|N<3>,5|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8050	0.000	1	106.8050	0.000	1	106.9715	0.479	15	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6])(CHHO)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]CH){1|C<3>,1|H<1>,1|S<2>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]N[6,6]C)	108.4470	0.000	1	108.4470	0.000	1	108.4470	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(CH3)(H){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]N[6,6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]C)	106.7880	0.000	1	106.7880	0.000	1	106.7880	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H)	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6,6]C[6a])(C[6]N[6]CH){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	H(C[6]C[6,6a]N[6]C)	106.5600	0.000	1	106.5600	0.000	1	106.5600	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6]C[6,6a]C)(CC[6a]CH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]O[5])(C[6]N[6]CH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	109.1870	0.397	2	109.1870	0.158	2	109.1870	0.158	2	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5,6]C)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	106.3630	0.000	1	106.3630	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6]C)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	110.2680	0.000	1	110.2680	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	107.7510	0.000	1	107.7510	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C)(CC[6]HH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.1330	0.000	1	108.1330	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.1280	0.000	1	108.1280	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]N)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	107.8060	0.000	1	107.8060	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]S)(CH3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){1|H<1>,1|O<2>,1|S<4>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.3570	0.000	1	108.3570	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	106.9740	0.000	1	106.9740	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.0845	0.911	2	108.0845	0.831	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	106.9040	0.000	1	108.1236	1.266	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.8273	0.819	3	108.1236	1.266	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.6810	0.000	1	108.1236	1.266	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	110.1260	0.000	1	108.1236	1.266	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCHH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.6720	0.000	1	108.1236	1.266	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.3260	0.000	1	107.3260	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.2617	0.512	3	107.4181	0.163	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.2775	0.163	2	107.4181	0.163	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.7935	0.185	2	107.4181	0.163	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.5975	0.094	2	107.5975	0.009	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]H)(C[6]N[6]CH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]C)	106.8980	0.000	1	106.8980	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	106.9320	0.000	1	107.7315	1.278	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6]C)	108.5310	0.000	1	107.7315	1.278	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|H<1>,1|S<2>,2|C<3>,2|O<2>}	H(C[6]C[6,6a]N[6]C)	107.6430	0.035	2	108.0063	0.397	3	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.7330	0.000	1	108.0063	0.397	3	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.5670	0.000	1	107.5670	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.1810	0.198	2	107.1810	0.039	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.8740	0.000	1	108.8740	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CCHN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2180	0.000	1	108.2180	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]N)(CC[6a]CH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.9110	0.000	1	108.9110	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]O)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	90.6156	0.000	1	90.6156	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.5030	0.000	1	108.5030	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCCH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.1840	0.000	1	107.1840	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.0080	0.000	1	108.2275	0.096	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CCHH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.4470	0.000	1	108.2275	0.096	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.1550	0.000	1	108.1550	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.4130	0.000	1	108.0200	0.309	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]S)(CH3)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<2>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.6270	0.000	1	108.0200	0.309	2	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCFF)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9110	0.000	1	107.9110	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|F<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	109.0020	0.000	1	109.0020	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	109.0050	0.557	2	109.1911	0.503	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	109.2415	0.228	2	109.1911	0.503	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	109.2817	1.131	3	109.1911	0.503	7	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	106.9860	0.000	1	106.9860	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCHH)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	108.8470	0.000	1	108.8470	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[5a]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.6460	0.000	1	107.6460	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CC[6a]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9610	0.147	3	107.9610	0.022	3	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(CCl3)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]C)	106.2300	0.000	1	106.2300	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]Si[6])(CCHH)(H){1|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Si<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.9920	0.000	1	107.9920	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	108.8100	0.000	1	108.8100	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]C)(CC[6a]HH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.4680	0.000	1	108.4680	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]N[6]S)(CCHH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.0540	0.000	1	107.0540	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]P[6]S)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|H<1>,1|P<4>,1|S<4>}	H(C[6]C[6,6a]N[6]C)	107.9400	0.000	1	107.9400	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.4930	0.000	1	107.3763	0.027	3	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CCHH)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|Cl<1>,1|C<3>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]N[6]C)	107.3180	0.181	2	107.3763	0.027	3	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]S[6]H)(CHHO)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	109.5420	0.000	1	109.5420	0.000	1	107.7681	4.967	72	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-3:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP)	H(C[6]C[6,6a]N[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(PO3)(H){1|H<1>,1|N<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HP){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]P)	107.3110	0.000	1	107.3110	0.000	1	107.3110	0.000	1	107.6620	2.982	146	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	107.5850	0.000	1	108.1550	0.164	4	108.1550	0.164	4	108.0576	0.170	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:2:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a])	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(N[6a]C[6a]){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	108.3450	0.171	3	108.1550	0.164	4	108.1550	0.164	4	108.0576	0.170	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:2:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a])	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(O[6a]C[6a]){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6680	0.000	1	107.6680	0.000	1	107.6680	0.000	1	108.0576	0.170	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]C)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HN)(H){1|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a,6]CH)(C[6a]C[6a]H){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6a]C)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6,6a]-3:P-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6a]P)	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6,6a]C[6,6a]C[6a])(PO3)(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5a,6]HP)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6,6a]P)	109.2550	0.167	2	109.2550	0.028	2	109.2550	0.028	2	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:B[6]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H)	H(C[6]C[6,6a]B[6]Si)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]C[6,6a]C[6a])(SiC3)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[6]SiH)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]Si)	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(CHHN)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	107.0470	0.000	1	107.0470	0.000	1	107.0470	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[5]C[5]2H)(H){1|H<1>,1|O<2>,3|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]C[5]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[5])	107.9820	0.000	1	107.9820	0.000	1	107.9820	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[5,6]HH)(H){2|H<1>,2|N<3>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	106.8160	0.000	1	106.8160	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.6560	0.000	1	107.6560	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	106.8815	0.838	2	106.8815	0.702	2	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.8800	0.000	1	107.8800	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	106.3260	0.000	1	106.3260	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	110.1100	0.000	1	110.1100	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]O[5a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	108.5640	0.000	1	108.5640	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[5a]C[6])	107.1270	0.000	1	107.1270	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a]S[5a])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6]C[5a]C[6]H)(C[6a]C[6a]H){1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5a]C[6])	107.3910	0.000	1	107.3910	0.000	1	107.5633	1.282	10	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.2180	0.000	1	108.2180	0.000	1	108.5672	0.100	11	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(CC[6a]HH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.5750	0.258	5	108.5750	0.067	5	108.5672	0.100	11	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.1640	0.000	1	108.6292	0.148	5	108.5672	0.100	11	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.7455	0.327	4	108.6292	0.148	5	108.5672	0.100	11	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(CC[6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	108.1285	0.438	4	108.1285	0.192	4	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]C){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.1465	0.021	2	108.1465	0.000	2	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.0505	0.011	2	108.1813	0.023	4	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCCH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.3120	0.011	2	108.1813	0.023	4	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]2C)	107.3763	0.212	9	107.4894	0.048	17	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6,6a]H){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]2C)	107.6166	0.155	8	107.4894	0.048	17	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]2C)	107.3160	0.099	2	108.4627	0.935	8	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	107.3660	0.000	1	108.4627	0.935	8	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	108.9100	0.019	3	108.4627	0.935	8	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	109.4870	0.030	2	108.4627	0.935	8	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	107.3067	0.072	3	107.3067	0.005	3	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H)	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CCHH)(H){1|I<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]I[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	101.8705	1.270	4	101.8705	1.612	4	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[5]CH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.7865	0.023	2	108.7865	0.001	2	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]2C)	108.4940	0.000	1	108.4940	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]2C)	108.4610	0.000	1	108.4610	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	107.8300	0.000	1	108.2346	0.401	7	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	108.4090	0.173	3	108.2346	0.401	7	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]2C)	108.7845	0.053	2	108.2346	0.401	7	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]2C)	107.0160	0.000	1	108.2346	0.401	7	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]O){1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	107.0720	0.000	1	107.0720	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	108.4023	0.171	3	108.4023	0.029	3	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	107.8240	0.000	1	107.8240	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]2C)	107.1619	0.535	9	107.1619	0.286	9	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]2C)	108.9600	0.000	1	108.9600	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CF3)(H){1|H<1>,1|O<1>,2|C<3>,3|N<3>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6a]CH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]2C)	108.9540	0.000	1	108.9540	0.000	1	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C)	C[6](C[6,6a]C[6,6a]C[6a])2(CN3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2C)	105.8085	0.026	2	105.8085	0.001	2	107.4960	2.555	71	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	108.4603	0.032	4	108.4603	0.001	4	107.2852	3.897	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	104.9350	1.707	2	104.9350	2.914	2	107.2852	3.897	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2Si)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC3)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]2Si)	106.6360	0.007	2	106.6360	0.000	2	108.3420	3.882	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:Si-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H)	H(C[6]C[6,6a]2Si)	C[6](C[6,6a]C[6,6a]C[6a])2(SiC[6a]HO)(H){1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6a]SiH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]2Si)	110.0480	0.052	2	110.0480	0.003	2	108.3420	3.882	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7045	0.904	2	107.7045	0.818	2	107.7045	0.818	2	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0350	0.000	1	107.0350	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1330	0.000	1	108.5740	4.153	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	110.0150	0.000	1	108.5740	4.153	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.9730	0.000	1	107.6585	3.456	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3440	0.000	1	107.6585	3.456	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1040	0.000	1	107.1040	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]C){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9898	0.809	4	107.9898	0.655	4	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7220	0.000	1	106.8280	1.598	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	105.9340	0.000	1	106.8280	1.598	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7680	0.000	1	107.9405	0.060	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1130	0.000	1	107.9405	0.060	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9085	0.177	2	108.1739	3.272	7	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	109.4325	3.710	2	108.1739	3.272	7	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5117	0.779	3	108.1739	3.272	7	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9240	0.000	1	106.5540	0.274	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1840	0.000	1	106.5540	0.274	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1190	0.283	2	106.1190	0.080	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1740	0.000	1	106.1740	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5520	0.000	1	107.5520	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|F<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8960	0.000	1	106.8960	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0500	0.000	1	106.6315	0.350	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2130	0.000	1	106.6315	0.350	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5390	1.240	3	107.2602	1.235	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5010	0.000	1	107.2602	1.235	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8850	0.000	1	107.2602	1.235	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1622	0.874	6	107.2602	1.235	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.1460	0.000	1	107.2602	1.235	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3925	0.161	2	107.3925	0.026	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.6030	0.000	1	106.9115	0.190	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.2200	0.000	1	106.9115	0.190	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9880	0.190	2	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.6990	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	103.4580	3.472	2	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3190	0.096	2	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3230	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	109.0160	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.3800	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1760	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0080	0.000	1	106.5943	3.645	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7280	0.000	1	106.7280	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5910	0.000	1	107.5910	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]Cl){2|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.9560	0.000	1	108.9560	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7837	0.188	3	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5820	0.000	1	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1690	0.000	1	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6730	0.000	1	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9760	0.000	1	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4803	0.507	3	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1750	0.605	2	107.2118	0.193	12	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3440	0.171	3	108.3075	0.025	4	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.1980	0.000	1	108.3075	0.025	4	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.7330	0.000	1	107.0040	1.063	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.2750	0.000	1	107.0040	1.063	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8360	0.000	1	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6840	0.224	3	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4720	0.000	1	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.9160	0.000	1	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3515	0.781	2	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4570	0.398	4	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8720	0.011	2	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6310	0.000	1	107.4788	0.173	15	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7200	0.000	1	107.0170	0.176	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3140	0.000	1	107.0170	0.176	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1820	0.000	1	107.1820	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]O[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1770	0.000	1	107.1770	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1170	0.000	1	107.1170	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9580	0.051	2	107.9863	0.022	6	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]O[6a]O){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0005	0.186	4	107.9863	0.022	6	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]C){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7280	0.000	1	107.7280	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3630	0.000	1	107.3630	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]N[6a]O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	108.0730	0.000	1	108.0730	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]S[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a,6a]O){1|H<1>,1|N<3>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.7260	0.000	1	105.7260	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9280	0.000	1	107.9280	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|C<4>,1|O<2>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4400	0.000	2	107.4237	0.001	3	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3910	0.000	1	107.4237	0.001	3	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1720	0.000	1	107.5018	0.146	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4080	0.000	1	107.5018	0.146	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6430	0.452	3	107.5018	0.146	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2905	0.117	2	108.2905	0.014	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9555	0.168	2	107.1104	0.046	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4370	0.000	1	107.1104	0.046	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1020	0.008	2	107.1104	0.046	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.3720	0.000	1	106.3720	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0840	0.013	2	107.0790	0.260	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7185	0.524	2	107.0790	0.260	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.7900	0.000	1	107.0790	0.260	5	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.7860	0.000	1	108.7480	0.003	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.7100	0.000	1	108.7480	0.003	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6045	0.141	2	107.8417	0.179	3	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.3160	0.000	1	107.8417	0.179	3	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4520	0.000	1	107.5525	0.020	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|C<3>,3|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6530	0.000	1	107.5525	0.020	2	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]O){2|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.8630	0.000	1	108.8630	0.000	1	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6540	0.428	4	107.6540	0.183	4	107.3998	1.013	143	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	112.2860	0.629	2	112.2860	0.396	2	110.7913	6.900	3	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.8020	0.000	1	107.8020	0.000	1	110.7913	6.900	3	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]C)	108.4020	0.000	1	108.4020	0.000	1	108.2725	0.036	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]C)	108.3160	0.199	2	108.3160	0.040	2	108.2725	0.036	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]N[5,6]C)	108.0560	0.000	1	108.0560	0.000	1	108.2725	0.036	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,1|P<2>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[5])	108.2515	0.179	2	108.2515	0.032	2	108.2515	0.032	2	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[5,6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	107.6880	0.000	1	107.6880	0.000	1	107.6880	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[5a,6]HH)(H){1|H<1>,1|N<3>,7|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5a]C[6])	107.0820	0.000	1	107.0820	0.000	1	107.8695	0.379	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(H){1|C<4>,2|N<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	108.0320	0.126	2	108.0320	0.016	2	107.8695	0.379	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]N[5a])(C[6]C[6]CN)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[5a]C[6])	107.3210	0.000	1	107.3210	0.000	1	107.8695	0.379	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]ClH)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	108.8190	0.000	1	108.8190	0.000	1	107.8695	0.379	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6a]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[5a]C[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]N[5a]C[6])	107.9310	0.000	1	107.9310	0.000	1	107.8695	0.379	6	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6,6])(CCHH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]CH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6,6]C)	105.4375	0.116	4	105.4375	0.013	4	105.4375	0.013	4	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]P[6,6])(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]C[6]H)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,6|H<1>}	H(C[6]C[6,6a]N[6,6]C[6])	106.3880	0.000	1	106.3880	0.000	1	106.3880	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	3:4:3:	4:	C[6,6a]-3:N[6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.5770	0.000	1	107.5770	0.000	1	107.5770	0.000	1	107.5508	1.698	275	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:2:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a])	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]N[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(N[6a]C[6,6a]){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.9430	0.494	2	108.9430	0.244	2	108.9430	0.244	2	108.9430	0.244	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]2C)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[5])	107.7870	0.038	2	107.7870	0.001	2	107.4669	0.256	7	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5,6a]C[5]C)(H){1|N<3>,1|O<1>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[5])	107.2940	0.035	2	107.2940	0.001	2	107.4669	0.256	7	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2C)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[5])	108.2780	0.000	1	108.2780	0.000	1	107.4669	0.256	7	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H)	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[5])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5]C[5]2H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6a]C[5]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]2C[5])	106.9140	0.041	2	106.9140	0.002	2	107.4669	0.256	7	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){2|Cl<1>,1|C<4>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	107.8215	0.023	4	107.8215	0.001	4	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	107.8660	0.023	2	108.1022	0.390	30	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6])	108.0598	0.532	24	108.1022	0.390	30	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.4753	1.164	4	108.1022	0.390	30	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2C)(H){1|C<4>,2|O<2>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6a]O){1|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6])	107.2135	0.013	2	107.2135	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	108.0710	0.080	3	108.0710	0.006	3	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|C<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]C){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.3153	0.191	18	108.3153	0.036	18	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	111.4480	0.000	1	111.4480	0.000	1	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.3899	0.268	19	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.9125	0.025	2	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.5800	0.236	2	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	108.2763	0.223	6	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	107.8022	1.242	39	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	109.9980	0.000	1	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.1805	0.494	15	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|Cl<1>,1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.4050	0.000	1	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|H<1>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	107.4593	0.224	3	108.0889	0.871	88	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|N<3>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	109.3060	0.021	2	109.3060	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a])	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|C<4>,2|N<2>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]N[6a]){1|C<4>,1|N<2>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	107.9715	0.021	2	107.9715	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){2|O<2>,9|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]O){1|O<1>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.4000	0.011	2	108.4000	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.3345	0.179	4	109.0413	1.736	6	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){1|N<3>,2|H<1>,8|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	110.4550	1.609	2	109.0413	1.736	6	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]2H)(H){3|C<4>,4|C<3>,4|N<2>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]C[6])(C[6a]C[6,6a]C){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	110.6855	1.865	2	110.6855	3.477	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]2C[6])	107.8565	0.009	2	107.8565	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]H)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.3755	0.663	2	108.3755	0.439	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl){2|Cl<1>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]2C[6])	110.0575	1.228	2	110.0575	1.509	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|Cl<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]2C[6])	108.0545	1.811	2	108.0545	3.279	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.1300	0.000	1	108.1300	0.000	1	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|O<1>,1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]2C[6])	108.2820	0.008	2	108.2820	0.000	2	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H)	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2H)(H){1|H<1>,1|O<2>,2|C<3>,3|O<1>,4|N<3>}	C[6,6a](C[6]C[6,6a]C[6]H)(C[6,6a]N[6a]O[6])(C[6a]N[6a]O){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6])	108.1670	0.000	1	108.1670	0.000	1	108.2236	0.855	172	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:Ge[6]-4:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H)	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]2Ge[6])	C[6](C[6,6a]C[6,6a]C[6a])2(Ge[6]C[6,6a]2C[6a])(H){10|C<3>,1|Ge<4>,2|H<1>}	C[6,6a](C[6]C[6,6a]Ge[6]H)(C[6,6a]C[6a]Ge[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,7|C<3>}	H(C[6]C[6,6a]2Ge[6])	107.7280	0.018	2	107.7280	0.000	2	107.7280	0.000	2	108.1889	0.845	181	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.4870	0.025	2	109.4870	0.001	2	109.4345	0.004	4	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(O[6a]C[6a,6a])(C[6]C[5,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.3820	0.010	2	109.3820	0.000	2	109.4345	0.004	4	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]N[6a])(C[6]C[6]CC)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7506	0.096	11	108.7506	0.009	11	108.7506	0.009	11	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(N[6a]C[5a,6a])(C[6]C[6]HH){2|C<3>,2|N<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9375	0.013	2	108.9375	0.000	2	108.9375	0.000	2	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0697	0.081	4	109.0697	0.007	4	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7335	0.129	4	108.7335	0.017	4	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1663	0.045	4	109.1663	0.002	4	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7992	0.140	14	109.7519	0.034	16	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[5a,6a])(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4205	0.064	2	109.7519	0.034	16	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4400	0.100	4	109.4408	0.006	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4425	0.013	2	109.4408	0.006	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3230	0.000	1	108.3230	0.000	1	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7022	0.029	10	108.7022	0.001	10	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7180	0.023	4	108.7857	0.006	8	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8535	0.036	4	108.7857	0.006	8	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7165	0.022	2	108.6142	0.112	17	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9008	0.083	5	108.6142	0.112	17	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5203	0.041	4	108.6142	0.112	17	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.4040	0.452	6	108.6142	0.112	17	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5,6a])(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8730	0.021	2	108.8730	0.000	2	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[5a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4160	0.021	2	108.4160	0.000	2	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0260	0.000	1	109.1372	0.009	5	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0925	0.029	2	109.1372	0.009	5	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6,6a])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2375	0.009	2	109.1372	0.009	5	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8180	0.150	4	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4308	1.388	6	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6800	0.017	2	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4740	0.025	2	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7695	0.373	2	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3235	0.009	2	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1980	0.000	1	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4100	0.040	2	108.7795	0.617	21	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8017	0.872	6	108.8017	0.760	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5160	0.000	1	109.0837	0.134	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0782	0.026	4	109.0837	0.134	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]N[6]H)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6730	0.000	1	109.0837	0.134	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7543	0.117	6	108.7543	0.014	6	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[5a,6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2505	0.006	2	109.2505	0.000	2	108.9633	0.308	120	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	107.4565	0.787	2	107.4565	0.619	2	108.7193	1.041	7	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[5a]O[6]H)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6710	0.031	2	109.6710	0.001	2	108.7193	1.041	7	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4120	0.000	1	109.4120	0.000	1	108.7193	1.041	7	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6840	0.375	2	108.6840	0.140	2	108.7193	1.041	7	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6315	0.299	6	108.8954	0.303	8	108.8954	0.303	8	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6870	0.033	2	108.8954	0.303	8	108.8954	0.303	8	108.9452	0.311	152	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]B[6]H)	109.4895	0.008	2	109.2080	0.106	4	109.3641	0.054	11	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[5,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]B[6]H)	108.9265	0.037	2	109.2080	0.106	4	109.3641	0.054	11	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]H)	109.4866	0.109	5	109.4866	0.012	5	109.3641	0.054	11	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH)	H(C[6]C[6,6a]B[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(H)2{1|H<1>,1|N<2>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a]H)(C[6]B[6]HH){1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]B[6]H)	109.3700	0.031	2	109.3700	0.001	2	109.3641	0.054	11	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	107.2190	0.967	2	107.2190	0.936	2	108.5757	3.184	4	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	109.9325	1.119	2	109.9325	1.253	2	108.5757	3.184	4	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[3x6]C[6,6a]C[6,6]2)(H)2{1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[6,6]C[6a])(C[6]C[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[3x6]H)	109.2075	0.626	2	109.2075	0.392	2	109.2075	0.392	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH)	H(C[6]C[6,6a]C[5,6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(F)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]FH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]F)	109.7210	0.000	1	109.7210	0.000	1	109.7210	0.000	1	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,3x6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[4x6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.0935	0.128	4	109.0935	0.016	4	109.0397	0.017	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6]C[5,5,6]O[5]H)(H)2{1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	108.9320	0.013	2	108.9320	0.000	2	109.0397	0.017	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3725	0.028	2	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	106.4442	2.756	4	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4197	0.054	4	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	109.7085	0.008	2	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.1980	0.206	3	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3760	0.000	1	108.6617	3.295	16	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	111.0795	0.657	2	111.0795	0.432	2	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]O[5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	109.8570	0.000	1	109.8570	0.000	1	108.9792	3.392	19	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	111.7605	0.149	2	111.7605	0.022	2	111.7605	0.022	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|Cl<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2340	0.024	2	109.4545	0.099	11	109.4562	0.063	17	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2313	0.027	4	109.4545	0.099	11	109.4562	0.063	17	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8255	0.009	2	109.4545	0.099	11	109.4562	0.063	17	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{1|O<2>,3|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6520	0.388	3	109.4545	0.099	11	109.4562	0.063	17	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]2)(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.4592	0.054	6	109.4592	0.003	6	109.4562	0.063	17	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6a]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4820	0.007	2	108.4820	0.000	2	108.3972	0.140	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.0690	0.021	2	108.0690	0.000	2	108.3972	0.140	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6,6]HH){2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.2773	0.050	3	108.2773	0.003	3	108.3972	0.140	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3295	0.098	2	108.6793	0.372	3	108.3972	0.140	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|H<1>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.3790	0.000	1	108.6793	0.372	3	108.3972	0.140	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2595	0.009	2	108.2595	0.000	2	108.7865	0.232	8	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4485	0.039	2	109.4485	0.002	2	108.7865	0.232	8	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]C[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7190	0.239	4	108.7190	0.057	4	108.7865	0.232	8	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(Br)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]BrH){2|Br<1>,1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]Br)	108.5830	0.279	3	108.5830	0.078	3	108.5830	0.078	3	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]Br)	113.3320	0.000	1	112.9120	0.353	2	112.9120	0.353	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(Br)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]Br)(C[6]C[6]BrH){3|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]Br)	112.4920	0.000	1	112.9120	0.353	2	112.9120	0.353	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(F)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[6,6a]C[6]F)	108.0270	0.000	1	108.0270	0.000	1	108.9434	0.402	5	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(F)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]F)	108.5630	0.000	1	108.5630	0.000	1	108.9434	0.402	5	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:F-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH)	H(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(F)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]F)	109.3757	0.179	3	109.3757	0.032	3	108.9434	0.402	5	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	B[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.5875	0.028	2	108.5875	0.001	2	108.5875	0.001	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[3x6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[3x6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[3x6,6a]C[6,6,6a]N[3x6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){1|C<5>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	111.4045	0.646	2	111.4045	0.417	2	111.4045	0.417	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7750	0.475	3	108.4817	0.090	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3010	0.025	2	108.4817	0.090	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[4x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3953	0.130	6	108.4817	0.090	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1615	2.196	2	110.1615	4.821	2	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6]C[5,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1535	0.008	4	109.1535	0.000	4	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5575	0.013	2	108.5575	0.000	2	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8135	0.040	4	109.6958	0.017	8	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5780	0.031	4	109.6958	0.017	8	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8230	0.018	2	108.8230	0.000	2	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4093	0.044	4	108.7970	0.134	12	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9920	0.014	2	108.7970	0.134	12	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6125	0.005	2	108.7970	0.134	12	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9985	0.022	2	108.7970	0.134	12	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3605	0.036	2	108.7970	0.134	12	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7717	0.017	3	109.4949	0.038	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2555	0.016	2	109.4949	0.038	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3920	0.023	2	109.4949	0.038	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4585	0.040	4	109.4949	0.038	11	109.0879	0.403	52	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7297	0.204	17	109.6782	0.037	25	109.4300	0.389	31	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5689	0.108	8	109.6782	0.037	25	109.4300	0.389	31	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]C[5,6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8890	0.185	2	108.8890	0.034	2	109.4300	0.389	31	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.7210	1.147	2	107.7210	1.315	2	109.4300	0.389	31	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[5,6a]C[5,6a]P[5])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|B<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5765	0.121	2	108.5765	0.015	2	109.4300	0.389	31	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4450	0.010	2	109.2622	0.045	4	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0795	0.043	2	109.2622	0.045	4	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CC)(H)2{1|Cl<1>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]N[6a]Cl)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3200	0.000	1	109.3200	0.000	1	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	107.6465	1.282	2	107.6465	1.643	2	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3010	0.054	2	109.3010	0.003	2	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6520	0.027	2	109.6520	0.001	2	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4822	0.864	10	109.4822	0.747	10	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]N[5a,6])(C[6a]N[6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6730	0.010	2	109.6730	0.000	2	109.2929	0.674	23	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){1|C<3>,1|N<2>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2835	0.045	2	108.2835	0.002	2	108.1132	0.039	4	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.9430	0.007	2	107.9430	0.000	2	108.1132	0.039	4	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3984	0.115	8	109.3984	0.013	8	109.3984	0.013	8	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a,6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a,6a]C[6a,6a]O[6a])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.6365	0.488	41	109.6365	0.238	41	109.6365	0.238	41	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.4130	0.910	4	110.0863	0.753	6	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4330	0.021	2	110.0863	0.753	6	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3443	0.196	12	109.3476	0.041	42	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3489	0.208	30	109.3476	0.041	42	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2900	0.017	2	108.2900	0.000	2	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2645	0.013	2	108.9625	0.082	17	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[3x6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0556	0.122	15	108.9625	0.082	17	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9235	0.026	2	108.9235	0.001	2	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2260	0.000	1	109.1166	0.033	7	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1850	0.174	4	109.1166	0.033	7	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9250	0.065	2	109.1166	0.033	7	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5558	0.073	5	109.5558	0.005	5	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.5467	0.276	6	109.5467	0.076	6	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.7303	0.826	43	109.7303	0.682	43	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.2540	0.497	41	109.2540	0.247	41	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3674	0.265	21	109.3674	0.070	21	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5540	0.034	2	108.5540	0.001	2	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[5,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4615	0.039	2	108.4615	0.002	2	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5525	0.008	2	109.3010	0.038	6	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1753	0.026	4	109.3010	0.038	6	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2383	2.480	3	108.9832	3.233	5	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6005	0.380	2	108.9832	3.233	5	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.0720	0.890	2	109.0720	0.791	2	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0586	0.195	8	109.0586	0.038	8	109.3488	0.378	217	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1080	0.000	1	109.1080	0.000	1	109.2313	0.011	3	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[3x6a]C[6,6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){1|C<2>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2930	0.004	2	109.2930	0.000	2	109.2313	0.011	3	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4452	0.114	6	109.4452	0.013	6	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.1587	0.219	4	108.1587	0.048	4	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]N[6])(C[6]C[6]HH){1|F<1>,1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3360	0.747	2	109.3360	0.558	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2820	0.045	2	109.2820	0.002	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	107.8590	0.651	4	107.8590	0.424	4	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9740	1.601	2	109.3798	1.695	4	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7855	1.365	2	109.3798	1.695	4	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3195	0.030	2	109.3195	0.001	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8090	0.008	2	109.8090	0.000	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3425	0.019	2	109.3425	0.000	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6382	0.142	6	109.6382	0.020	6	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6,6,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5670	0.032	4	109.5670	0.001	4	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5510	0.118	3	109.5510	0.014	3	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5345	0.006	2	109.6601	0.028	7	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7104	0.177	5	109.6601	0.028	7	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]P[6]CC)(H)2{1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	107.9660	0.089	2	107.9660	0.008	2	109.2148	0.549	50	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[5,6a]C[5,6a]C[5])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5680	0.085	2	109.5680	0.007	2	109.5680	0.007	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5,6]HH)(H)2{2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]HH){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7037	0.047	3	108.7037	0.002	3	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3175	0.025	2	109.3175	0.001	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5354	0.088	8	109.5354	0.008	8	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2120	0.010	2	109.2120	0.000	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8440	0.016	2	109.8440	0.000	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9340	0.040	2	108.9340	0.002	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]CO)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3335	0.013	2	109.3335	0.000	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2720	0.024	2	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0310	0.013	2	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8663	0.302	3	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1945	0.006	2	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1035	0.028	2	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,5|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9285	0.029	2	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|F<1>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8220	0.000	1	108.8914	0.098	14	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6310	0.061	2	109.6310	0.004	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8290	0.049	2	108.8290	0.002	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4322	0.134	4	109.5300	0.026	7	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]N[6])(C[6]C[6]HH){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.6603	0.088	3	109.5300	0.026	7	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9450	0.000	1	108.6883	1.823	3	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0600	1.130	2	108.6883	1.823	3	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])2(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8946	0.027	5	109.8946	0.001	5	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6,6a]C[6,6a]O[6])(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6995	0.018	2	109.6995	0.000	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	108.8990	0.224	6	108.8990	0.050	6	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1515	0.832	2	109.1515	0.693	2	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.4890	0.000	1	109.3694	0.010	5	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,2|O<1>,4|O<2>}	H(C[6]C[6,6a]C[6]H)	109.3395	0.088	4	109.3694	0.010	5	109.2358	0.233	69	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.4340	0.000	1	109.5957	0.527	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[5]C[6]H)(H)2{1|N<3>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|B<3>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1765	0.016	2	109.5957	0.527	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5525	0.026	2	109.5525	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9435	0.012	2	108.9435	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9795	0.060	4	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8452	0.877	4	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0250	0.025	2	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4240	0.164	4	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6945	2.237	2	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0885	0.040	2	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5860	1.062	4	109.1343	0.609	22	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2825	0.623	2	108.7435	0.413	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2045	0.019	2	108.7435	0.413	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0230	1.090	2	109.0230	1.189	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9317	0.016	4	108.9317	0.000	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0255	1.148	4	108.0255	1.317	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]O[6]C)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0140	0.040	2	109.0140	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4610	0.017	2	109.6415	0.044	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[4,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[4,6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8220	0.018	2	109.6415	0.044	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6,6]CC)(H)2{1|C<3>,2|N<2>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0520	0.038	2	109.0520	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4028	0.067	5	109.3505	0.008	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2770	0.000	1	109.3505	0.008	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2565	0.054	2	109.3505	0.008	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3570	0.018	3	109.3570	0.000	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1630	0.035	2	109.1630	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6050	0.048	2	108.6050	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3040	0.000	1	109.3040	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8860	0.082	2	108.8860	0.007	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3297	0.760	6	109.3101	0.414	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2515	0.052	2	109.3101	0.414	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(H)2{1|C<4>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9248	0.611	6	109.9248	0.373	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	111.0835	0.309	2	111.0835	0.095	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9490	0.007	2	108.9490	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5575	0.088	2	109.5575	0.008	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4010	0.016	2	109.4010	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8255	0.022	2	109.8255	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<2>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2570	0.010	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7775	0.078	4	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1755	0.049	4	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3920	0.017	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3565	0.008	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9870	0.000	1	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8047	0.193	4	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3490	0.008	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1502	0.138	5	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5835	0.121	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7457	0.143	6	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9485	0.005	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0670	0.016	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8875	0.023	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9627	0.131	6	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3582	0.262	5	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3410	0.040	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3435	0.136	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5699	0.965	7	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1160	0.033	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8640	0.013	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0116	0.254	8	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3881	0.789	9	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1542	0.660	5	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3300	0.004	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8605	0.032	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0360	0.000	1	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9020	0.008	2	109.1515	0.312	95	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2540	0.023	2	109.2540	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6665	0.489	4	109.5075	0.146	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3485	0.184	4	109.5075	0.146	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Fe<10>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	107.8675	1.893	2	107.8675	3.583	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|Br<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]Br)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4635	0.073	2	109.4635	0.005	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8907	0.173	4	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8830	0.245	4	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1638	0.492	4	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3687	0.267	7	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7810	0.025	4	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1965	0.019	2	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9560	0.663	6	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2030	0.013	2	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1414	0.201	12	109.2153	0.200	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6265	0.075	4	109.6680	0.038	23	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3697	0.113	4	109.6680	0.038	23	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7585	0.144	15	109.6680	0.038	23	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0700	0.007	2	109.0332	0.062	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9965	0.426	2	109.0332	0.062	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]SiH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|Si<4>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8085	0.019	2	108.8085	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(H)2{1|C<4>,1|W<7>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|W<7>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1230	0.030	2	109.1230	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8740	0.000	1	108.8740	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6850	0.007	2	108.6850	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1750	1.514	4	108.7533	0.494	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1073	0.031	3	108.7533	0.494	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5210	0.552	11	108.7533	0.494	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0224	0.340	8	108.7533	0.494	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1665	0.079	4	108.7533	0.494	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7610	0.000	1	108.7610	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|C<2>,1|N<3>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6500	0.027	2	108.6500	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2067	0.156	4	108.2067	0.024	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.6850	0.066	2	108.6850	0.004	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0700	0.225	4	108.5046	0.151	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3538	0.261	15	108.5046	0.151	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]N[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4620	0.016	2	108.4620	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1990	0.000	1	109.4178	0.085	11	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(H)2{1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4397	0.298	10	109.4178	0.085	11	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3750	0.027	2	109.1633	0.060	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9515	0.035	2	109.1633	0.060	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1485	0.013	2	109.1485	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	110.0830	0.150	2	109.5758	0.179	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3222	0.183	4	109.5758	0.179	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7850	0.277	2	108.9003	0.024	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9580	0.035	4	108.9003	0.024	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9830	0.131	12	108.9830	0.017	12	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3222	0.023	4	109.3222	0.001	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|C<4>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3805	0.069	4	109.3805	0.005	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8140	0.547	2	109.1437	0.287	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4735	0.357	2	109.1437	0.287	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CO)(H)2{1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	108.6850	0.017	2	108.6850	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8980	0.004	2	108.8980	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1600	0.042	2	109.1600	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2400	0.000	1	109.2400	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4450	0.020	2	109.4450	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7093	0.113	3	108.7454	0.009	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7995	0.022	2	108.7454	0.009	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5998	0.176	14	108.5778	0.047	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8020	0.034	2	108.5778	0.047	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2000	0.011	2	108.5778	0.047	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9670	0.014	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1525	0.071	6	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4710	0.176	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8465	0.319	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0360	0.151	6	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2703	0.108	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6257	0.108	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6940	0.030	5	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9110	0.047	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6985	0.059	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9411	0.993	8	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8137	0.027	3	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0027	0.817	24	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8949	0.361	27	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4135	0.016	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7845	0.016	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2435	0.036	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2893	0.507	10	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8920	0.031	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6070	0.000	1	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4800	0.000	1	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ni<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6375	0.026	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1100	0.038	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0477	0.459	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4490	0.028	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9990	0.000	1	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1410	0.011	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1185	5.020	8	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5318	0.051	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|I<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0555	0.011	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0475	0.011	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6903	0.885	245	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8817	0.124	12	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.6677	1.145	4	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7846	0.589	66	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7187	0.228	68	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7105	0.043	2	108.8369	0.857	551	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0570	0.000	1	109.0570	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8357	0.165	6	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7500	0.027	2	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.8310	1.745	2	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8650	0.000	1	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6647	0.145	8	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9315	0.030	2	109.0582	0.609	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6910	0.275	6	109.7051	0.055	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7475	0.023	2	109.7051	0.055	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8727	0.109	4	108.8256	1.035	24	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1800	0.142	12	108.8256	1.035	24	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1660	0.168	6	108.8256	1.035	24	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	105.5840	0.430	2	108.8256	1.035	24	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0825	0.009	2	109.0825	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6153	0.086	4	109.5525	0.014	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4270	0.018	2	109.5525	0.014	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9080	0.034	2	109.9080	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1840	0.007	2	109.1840	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4698	0.162	6	108.4698	0.026	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]SS)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|S<4>}	H(C[6]C[6,6a]C[6]H)	109.0040	0.030	2	109.0040	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.9510	0.000	1	109.5987	0.315	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9225	0.013	2	109.5987	0.315	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3707	0.226	6	109.3707	0.051	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5240	0.000	1	109.5240	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9620	0.059	3	108.9620	0.004	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6165	0.042	2	109.7060	0.011	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]C)(C[6]C[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7507	0.099	4	109.7060	0.011	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6635	0.237	4	109.6635	0.056	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6650	0.000	1	109.6650	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	112.6995	1.006	2	112.6995	1.012	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7390	0.014	2	109.5143	0.047	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4020	0.165	4	109.5143	0.047	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	107.8455	0.940	2	107.8455	0.883	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0475	0.227	6	110.0475	0.051	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7386	0.145	13	109.7386	0.021	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8115	0.211	4	109.8115	0.045	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7594	0.166	30	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5430	0.020	2	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1476	0.129	7	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0012	0.239	4	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9315	0.177	8	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.1142	0.078	4	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1150	0.911	45	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6136	0.756	21	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8350	0.034	2	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4427	0.082	20	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8309	0.103	16	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9650	0.119	3	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9660	0.066	2	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7574	0.165	38	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8527	0.093	6	109.6174	0.338	208	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6,6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6430	0.031	2	109.6430	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0172	0.298	10	109.0172	0.089	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[5a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0555	0.032	2	109.0555	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3775	0.054	4	109.3775	0.003	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1823	0.034	3	109.1823	0.001	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8365	0.021	2	109.1742	0.088	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3430	0.178	4	109.1742	0.088	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8356	1.031	8	109.8356	1.063	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6148	0.060	4	109.7064	0.123	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8149	0.336	14	109.7064	0.123	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1305	0.012	2	109.7064	0.123	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2485	0.047	2	109.5909	0.036	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5502	0.173	6	109.5909	0.036	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6171	0.099	8	109.5909	0.036	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(C[6]C[6]HH){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8310	0.032	3	109.5909	0.036	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5125	0.015	2	109.5125	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[5a,6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3487	0.154	6	109.3487	0.024	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]C)(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2165	0.005	2	109.2165	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]N[6a]H)(C[6]C[6]HH){2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6197	0.050	3	109.6197	0.002	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9854	0.156	5	109.9854	0.024	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]N[6a])(C[6]C[6]HH){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5540	0.014	2	109.5540	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]O[6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7680	0.000	1	109.7680	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6a]C[6,6a])(C[6a]N[6a]C)(C[6]C[6]HH){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5852	0.135	13	109.5852	0.018	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9030	0.025	2	109.9030	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0120	0.004	2	109.0120	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.8762	0.310	6	108.8762	0.096	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2425	0.499	4	109.2425	0.249	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0505	0.033	2	109.0505	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3580	0.008	2	108.7708	0.297	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.3793	0.139	3	108.7708	0.297	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	108.5355	0.046	2	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8464	0.114	5	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8985	0.022	2	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2350	0.000	1	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	107.9472	0.281	4	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7907	0.208	3	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8730	0.006	2	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2220	0.000	1	108.6732	0.185	20	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6905	0.033	2	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0510	0.031	2	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4000	0.008	2	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0900	0.054	2	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9090	0.201	2	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8135	0.616	8	109.4883	0.295	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6165	0.056	2	109.3597	0.089	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1030	0.025	2	109.3597	0.089	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7397	0.039	3	108.7464	0.072	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7515	0.379	4	108.7464	0.072	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.5120	0.000	1	109.5120	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.7165	0.131	4	109.7165	0.017	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3850	2.909	2	109.3850	8.462	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6125	1.477	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5880	0.542	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.4455	0.614	4	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1865	0.251	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8410	0.157	8	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0670	0.023	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8030	0.017	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Mo<7>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4605	0.037	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1240	0.346	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3770	0.030	2	108.9624	0.380	28	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0070	0.000	1	108.7994	0.207	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2030	0.000	1	108.7994	0.207	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3080	0.007	2	108.7994	0.207	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1710	0.000	1	108.7994	0.207	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9475	0.008	2	108.4527	2.286	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1745	0.025	2	108.4527	2.286	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	106.6735	2.739	2	108.4527	2.286	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0155	0.056	2	108.4527	2.286	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8415	0.036	2	109.7787	0.012	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6530	0.000	1	109.7787	0.012	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8025	0.019	2	109.6450	0.063	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.5400	0.291	3	109.6450	0.063	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2760	0.000	1	108.2760	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]N[6a]O)(C[6]C[6]HH){1|C<3>,1|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.8335	0.053	2	109.8335	0.003	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3030	0.016	2	109.4762	0.040	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6495	0.030	2	109.4762	0.040	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	108.7395	0.032	4	108.7395	0.001	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,1|S<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3202	0.494	6	109.3202	0.244	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4220	0.057	2	108.6343	0.061	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8465	0.022	2	108.6343	0.061	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3960	0.025	2	109.3960	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0160	0.007	2	109.0160	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|F<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7930	0.049	2	108.7930	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0510	0.000	1	109.0510	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5250	0.103	2	109.5250	0.011	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1710	0.310	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0385	0.022	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4147	0.045	3	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9165	2.114	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|I<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3165	0.332	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5675	0.086	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.025	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0925	0.074	4	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8628	0.014	4	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9308	0.086	4	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	105.6895	1.882	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0610	0.000	1	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5220	0.528	2	108.7239	1.081	32	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9715	0.049	2	108.9715	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6045	1.423	2	108.6045	2.026	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6a]N[6a]C[5])(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.5975	1.491	2	107.5975	2.224	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5a,6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6855	0.019	2	108.6855	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4000	0.007	2	109.4000	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[5a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.7570	0.000	1	109.7570	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|S<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0655	0.005	2	109.0673	0.174	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1102	0.581	5	109.0673	0.174	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9620	0.081	2	109.0673	0.174	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8750	0.064	2	108.8452	0.007	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7485	0.037	2	108.8452	0.007	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9120	0.025	2	108.8452	0.007	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Co<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5880	0.112	2	109.3861	0.702	11	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5634	0.825	9	109.3861	0.702	11	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	111.0725	0.634	2	111.0725	0.402	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7485	0.019	2	109.7485	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[5a]N[6a])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5175	0.032	2	108.5175	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1430	0.048	2	109.4947	4.260	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8329	2.208	15	109.4947	4.260	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.3100	0.474	2	109.4947	4.260	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]N[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2510	0.014	2	108.2510	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]N[6a]C)(C[6]C[6]HH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2610	0.044	2	108.2610	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8265	0.009	2	108.8265	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8175	0.005	2	108.8175	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5715	0.009	2	109.5715	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4170	0.057	2	109.4170	0.003	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7430	0.055	2	109.7430	0.003	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0210	0.020	4	109.0210	0.000	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2480	0.027	2	109.2480	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]B)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	107.9200	0.008	2	107.9200	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5005	0.013	2	108.5005	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|B<4>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1535	0.019	2	108.5983	0.127	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7190	0.006	2	108.5983	0.127	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9225	0.005	2	108.5983	0.127	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7655	0.032	2	108.7655	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9208	0.196	12	108.9137	0.049	44	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9259	0.263	18	108.9137	0.049	44	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|P<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8671	0.225	10	108.9137	0.049	44	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9693	0.018	3	108.9137	0.049	44	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9080	0.000	1	108.9137	0.049	44	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8485	0.064	2	108.8485	0.004	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8515	0.133	4	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0750	0.016	2	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9815	0.008	2	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0210	0.000	1	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7415	0.029	2	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	111.0520	0.042	2	109.2405	0.663	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4320	0.262	2	108.4320	0.068	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8225	0.054	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7293	0.174	11	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1675	0.214	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8830	0.345	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3755	0.016	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|F<1>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1170	0.331	6	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0330	0.041	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1560	0.028	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	106.8685	0.250	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4670	0.347	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1335	0.332	12	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4320	0.024	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6430	0.152	3	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8384	0.328	7	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8960	2.138	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1695	0.021	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7415	0.077	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3704	0.233	5	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3307	0.037	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8999	0.443	16	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9520	0.014	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8965	0.054	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7420	0.042	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8500	0.059	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0025	0.050	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8660	0.016	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5550	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2905	0.009	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2420	0.007	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8658	0.232	13	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9023	0.211	43	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5570	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9670	2.714	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|B<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9740	0.040	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7440	0.011	3	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9225	0.145	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1260	0.016	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1152	0.343	5	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3590	0.085	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6491	0.794	14	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8880	0.056	5	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8100	0.212	39	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0355	0.023	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3595	0.015	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6710	0.010	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3245	1.801	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0250	0.040	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7732	0.617	10	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9712	0.122	5	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1471	0.317	27	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0201	0.853	16	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3600	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9845	0.015	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2060	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2345	0.006	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	106.1345	1.282	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7595	0.194	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9035	0.015	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4670	0.066	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0885	0.050	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|F<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2300	0.160	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8550	0.008	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3285	0.023	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5695	0.076	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7575	0.035	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1740	0.034	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4080	0.238	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9947	0.053	3	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9335	0.022	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3920	0.051	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9991	0.061	7	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2273	0.180	19	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3487	0.403	22	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7320	0.055	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6860	0.033	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1343	0.217	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7410	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Se<2>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7473	0.032	3	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8620	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	107.9567	0.925	6	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	107.9712	1.505	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	110.0265	0.136	6	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6463	0.060	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|Cl<1>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9750	0.000	1	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8740	0.374	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3732	0.038	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7675	0.023	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9620	0.018	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3280	0.021	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5167	0.082	3	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4075	0.565	14	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8581	0.107	7	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9186	0.689	10	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3865	0.087	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3143	0.027	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1922	1.876	5	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6391	0.277	7	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2690	0.081	2	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8480	0.174	4	109.0447	0.385	515	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5605	0.019	2	109.0305	0.344	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8030	0.120	4	109.0305	0.344	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9555	0.039	2	109.0305	0.344	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	106.5665	0.551	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8240	0.006	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6010	0.000	1	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6672	0.152	4	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9513	0.092	8	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8215	0.005	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7295	0.008	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8880	0.031	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1440	0.021	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5167	0.724	3	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3345	0.045	2	108.8349	0.542	30	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	108.4350	0.040	2	108.4350	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2300	0.175	2	109.0337	0.164	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0415	0.009	2	109.0337	0.164	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1570	0.000	1	109.0337	0.164	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2680	0.013	2	109.0337	0.164	7	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4005	1.880	4	108.9520	1.871	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5035	0.145	4	108.9520	1.871	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0328	0.118	13	109.0328	0.014	13	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3010	0.000	1	109.3773	0.004	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4155	0.005	2	109.3773	0.004	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3520	0.000	1	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2200	0.024	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|P<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1255	0.023	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9292	1.930	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0020	0.075	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3903	0.075	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3800	0.000	1	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1792	0.379	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7825	0.005	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2595	0.054	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5168	0.551	25	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6202	0.086	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7465	0.059	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7850	0.020	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2995	0.006	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2840	0.011	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.4220	1.159	6	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1865	0.008	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6166	0.262	8	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3668	0.038	6	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3113	0.155	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3395	0.972	11	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Ir<4>,1|C<3>,1|C<4>,1|P<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5945	0.022	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7787	0.082	3	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9033	0.044	3	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3070	0.000	1	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5895	0.015	2	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2890	0.266	4	109.4870	0.558	113	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	109.3550	0.011	2	109.3550	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9951	0.836	8	108.9951	0.699	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Br)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5465	0.054	2	109.5465	0.003	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5610	0.006	2	109.5843	0.735	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8587	1.197	10	109.5843	0.735	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5230	0.047	2	109.5843	0.735	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2164	0.123	7	109.5843	0.735	21	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3120	0.021	2	109.3120	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5838	0.596	12	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6340	0.232	2	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7710	0.000	1	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4555	0.090	2	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8219	1.228	7	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4862	0.263	4	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4430	0.030	2	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9005	1.119	4	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6988	0.340	4	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2395	0.015	2	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|F<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3220	0.041	2	109.5252	0.488	42	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8960	0.017	2	109.6112	0.109	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]N)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3265	0.053	2	109.6112	0.109	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4280	0.038	2	109.5055	0.007	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5443	0.077	4	109.5055	0.007	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4077	0.066	4	109.4077	0.004	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8165	0.040	2	108.8165	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[5a]C[6a])(C[6]C[6]HH){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1910	0.007	2	109.1910	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6,6a]N)(C[6]C[6]HH){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8165	0.025	2	108.8165	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7037	0.294	4	108.7037	0.087	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2480	0.025	2	109.2480	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1902	0.717	5	108.1902	0.513	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1815	0.023	2	109.4411	0.185	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|Br<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0605	0.040	2	109.4411	0.185	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0900	0.072	2	109.4411	0.185	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.9368	0.034	4	109.4411	0.185	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8605	0.008	2	108.8167	0.003	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7730	0.034	2	108.8167	0.003	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2110	0.023	2	109.2110	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8730	0.000	1	108.6446	0.740	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4013	0.511	8	108.6446	0.740	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4637	1.313	6	108.6446	0.740	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1370	0.030	2	108.6446	0.740	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5540	0.057	2	108.6446	0.740	19	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[5a,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2370	0.023	2	109.2370	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8845	0.040	2	109.8845	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5495	0.005	2	109.5495	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]O[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5575	0.081	4	109.5575	0.007	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|I<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2900	0.006	2	109.2900	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HI)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|I<1>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8335	0.015	2	109.8335	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.1960	0.014	2	107.1960	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8650	1.457	2	109.9495	0.583	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7010	0.010	2	109.9495	0.583	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2825	0.657	2	109.9495	0.583	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2780	0.007	2	109.4275	0.030	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5770	0.018	2	109.4275	0.030	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1650	0.034	2	109.2857	0.044	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5270	0.000	1	109.2857	0.044	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(H)2{1|S<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6377	0.093	4	108.6377	0.009	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6150	0.013	2	108.6150	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7280	0.008	2	109.6825	0.005	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6370	0.072	2	109.6825	0.005	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3053	2.401	4	110.3053	5.765	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1735	0.537	2	108.1735	0.288	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6670	1.926	2	109.6670	3.710	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2680	1.228	2	109.1459	0.622	62	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1619	0.794	56	109.1459	0.622	62	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2510	0.024	2	109.1459	0.622	62	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4700	0.008	2	109.1459	0.622	62	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4954	0.174	5	109.4954	0.030	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7700	0.008	2	109.4311	0.070	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4400	0.008	2	109.4311	0.070	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1522	0.024	4	109.4311	0.070	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.6410	0.017	2	109.4311	0.070	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6570	0.038	3	109.6854	0.002	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(H)2{2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]H)	109.7280	0.006	2	109.6854	0.002	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7470	0.144	4	108.7470	0.021	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3395	0.021	2	109.3272	0.001	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3150	0.058	2	109.3272	0.001	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|S<2>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5680	0.014	2	109.5680	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0147	0.190	4	108.0147	0.036	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SeH)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Se<2>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4065	0.015	2	109.4065	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<3>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8835	0.023	2	109.0605	0.042	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(H)2{1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|Si<4>,1|C<3>,1|C<4>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2375	0.016	2	109.0605	0.042	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0140	0.307	2	108.0140	0.094	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.0525	0.035	2	108.0525	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.3795	0.021	2	109.3795	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)2{1|C<3>,1|C<4>,3|H<1>,3|N<2>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]N[6a]H)(C[6]C[6]HH){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4970	0.000	1	109.4970	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0435	0.525	4	110.0435	0.276	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.2350	0.000	1	108.2350	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8575	0.006	2	109.0745	0.031	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2410	0.004	2	109.0745	0.031	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1250	0.049	2	109.0745	0.031	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6367	0.082	3	109.6367	0.007	3	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8058	0.213	4	108.8058	0.045	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]N)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.0285	0.045	2	110.0285	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0920	0.024	2	109.3428	0.294	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0430	0.051	4	109.3428	0.294	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4850	1.051	4	109.3428	0.294	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4844	0.368	8	109.3428	0.294	18	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)2{1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7050	0.020	2	108.7050	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6255	0.006	2	109.6255	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Ga[4]Ga[6]Si)(H)2{1|Br<2>,2|Cl<2>,3|Cl<1>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]Br[6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Si<4>,2|Ga<4>,1|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.4775	0.019	2	108.4775	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[4,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[4,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8330	0.007	2	108.8330	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7983	0.054	3	108.9846	0.067	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2640	0.014	2	108.9846	0.067	5	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7770	0.000	1	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7843	0.190	4	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9770	0.074	2	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3630	0.000	1	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2600	0.037	2	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]CH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9365	0.077	4	108.8212	0.090	14	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4379	0.158	8	109.4379	0.025	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,5,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0550	0.047	2	109.0550	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0432	0.082	9	109.4243	0.342	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.2586	0.047	5	109.4243	0.342	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0535	0.011	2	109.4243	0.342	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|Cl<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]Cl)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9667	0.041	4	108.9667	0.002	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1860	0.069	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2529	0.229	21	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4665	0.026	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2805	0.035	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4810	0.006	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2985	1.107	20	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5335	0.025	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2907	0.298	10	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1885	0.019	4	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1140	0.025	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4767	0.034	4	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3645	0.016	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3700	0.051	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.2190	0.093	4	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3080	0.172	5	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3895	0.006	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3590	0.023	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3056	1.185	5	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5279	0.777	11	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4893	0.110	3	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2992	0.378	6	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8255	0.012	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1400	0.007	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3440	0.004	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7665	1.144	4	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2500	0.049	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3465	0.006	2	109.3451	0.350	127	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2675	0.077	4	109.2675	0.006	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.6350	0.006	2	109.6350	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3240	0.042	2	109.2389	0.191	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8505	0.894	8	109.2389	0.191	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4083	0.145	9	109.2389	0.191	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2933	0.206	26	109.2389	0.191	45	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.4120	0.010	2	109.4120	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2010	0.027	2	109.2010	0.001	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3454	0.883	8	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.9025	1.003	2	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.4547	1.406	4	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0120	0.004	2	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4319	0.208	15	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0930	0.049	4	109.5503	0.644	35	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4368	0.332	4	109.4368	0.111	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3948	0.569	4	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4155	0.027	4	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6227	1.198	6	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0970	0.000	1	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.0311	0.613	15	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8478	0.069	5	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6013	0.492	29	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1975	0.035	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4520	0.157	3	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1003	0.319	15	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5980	0.016	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8895	0.016	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6140	0.000	1	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5470	0.047	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5227	0.190	27	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2973	0.326	16	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,1|S<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9325	0.056	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0490	0.234	4	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|S<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2290	0.006	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2101	0.085	8	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4415	0.019	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6450	0.004	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9575	0.015	2	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2610	0.219	5	109.4883	0.229	161	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8213	0.515	86	109.8213	0.265	86	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8171	0.083	8	109.8171	0.007	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]HH)(H)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4555	0.008	2	109.4555	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0920	0.074	2	109.2173	0.051	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9425	0.018	2	109.2173	0.051	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8990	0.016	2	109.2173	0.051	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3135	0.026	2	109.2173	0.051	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[6]H)	109.3729	0.150	8	109.2173	0.051	16	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CC)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0645	0.013	2	109.0645	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5093	0.066	4	109.5093	0.004	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3290	0.004	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4177	0.245	8	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2237	0.023	3	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4325	0.022	4	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3904	0.228	7	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	108.8210	0.170	4	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2990	0.027	4	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6570	0.008	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3410	0.023	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1410	0.000	1	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3007	0.076	3	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5335	0.415	6	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0507	0.239	6	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6830	0.034	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1643	0.043	3	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6205	0.029	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{1|Pd<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7400	0.021	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6580	0.024	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1301	0.318	8	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5175	0.012	2	109.3168	0.133	73	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6860	0.552	2	108.6860	0.304	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Cu<5>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0980	0.008	2	109.2162	0.258	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2057	0.017	4	109.2162	0.258	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5320	0.006	2	109.2162	0.258	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.0395	0.026	2	109.2162	0.258	10	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0375	0.006	2	109.0375	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9194	0.112	9	108.9194	0.013	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|I<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]I)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7930	0.016	2	108.7930	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<1>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	110.0980	0.367	4	109.7665	0.371	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1035	0.364	2	109.7665	0.371	6	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2530	0.000	1	109.2530	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|Au<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7145	0.023	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6850	0.011	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7420	0.000	1	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5590	0.010	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2420	0.161	5	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8145	0.493	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6635	0.033	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3460	0.573	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0110	0.079	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9856	0.162	5	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.3485	1.181	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7561	0.187	8	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4739	0.124	7	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1750	0.188	7	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3324	0.204	11	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2161	0.441	25	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5695	0.005	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.3635	1.343	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7125	0.012	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	112.4145	0.781	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5633	0.392	15	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9775	0.009	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5331	1.501	56	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3886	0.219	14	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3685	0.028	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4720	0.028	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3630	0.008	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4915	0.008	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1075	2.323	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2525	0.005	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0755	0.013	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	114.6757	4.042	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2105	0.053	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0755	0.057	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7865	0.825	11	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1428	0.048	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0248	1.021	11	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9820	0.018	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4280	0.198	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2861	0.094	9	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4675	0.011	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4546	0.044	5	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5590	0.099	4	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9460	0.008	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5245	0.026	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<2>,1|S<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9615	0.005	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.8505	0.180	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5713	0.138	6	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3719	0.309	10	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4330	0.052	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7390	0.025	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2400	0.000	1	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<4>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0000	0.021	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9180	0.074	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.7680	0.000	1	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	110.1160	0.827	2	109.4823	1.269	296	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.8115	0.039	2	109.8115	0.002	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5770	0.010	2	109.5770	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[6]HH){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	110.4210	0.836	2	110.4210	0.699	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.7875	0.019	2	109.7875	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.6693	0.068	4	109.4384	0.067	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.2075	0.098	4	109.4384	0.067	8	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4358	0.204	12	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.3649	0.082	22	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5263	0.020	4	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.5637	0.108	12	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8875	0.788	2	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.9650	0.040	2	109.4784	0.048	54	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2590	0.000	1	109.5537	0.113	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.0475	0.028	2	109.5537	0.113	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]H)	109.8255	0.029	2	109.5537	0.113	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.7445	0.049	4	109.5537	0.113	9	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(H)2{1|H<1>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9075	0.019	2	108.9075	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]H)	109.1950	0.013	2	109.1950	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	110.5350	0.347	4	110.5350	0.121	4	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5400	0.010	2	109.5400	0.000	2	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3900	0.000	1	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4030	0.000	1	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,2|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.8963	0.710	6	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4927	0.030	9	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.5090	0.031	6	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.9915	0.012	2	109.6257	0.150	25	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HO)(H)2{1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3830	0.000	1	109.3830	0.000	1	109.2151	0.607	3876	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]O)(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9470	0.016	2	108.9470	0.000	2	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(N[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0530	0.033	2	109.0530	0.001	2	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0260	0.047	2	109.0298	0.001	6	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0318	0.016	4	109.0298	0.001	6	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]HH){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1175	0.008	2	109.1175	0.000	2	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(N[6a]C[6a]C)(C[6]C[6]HH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	106.9660	1.539	4	106.9660	2.369	4	108.5174	1.332	16	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2845	0.022	2	108.5547	0.098	4	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(H)2{3|C<3>,3|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8250	0.025	2	108.5547	0.098	4	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6]C[6a])(C[6]C[6]HH){3|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8353	0.148	13	108.8353	0.022	13	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6]HH)(H)2{1|O<2>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	112.3760	2.268	2	112.3760	5.146	2	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]2)(H)2{9|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4720	0.024	2	109.4720	0.001	2	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){1|C<2>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.6695	0.203	6	109.6327	0.032	9	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(H)2{5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]2)(C[6]C[6]HH){3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5590	0.109	3	109.6327	0.032	9	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6195	0.043	2	108.6983	0.020	3	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[5a,6a]C[6a,6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8560	0.000	1	108.6983	0.020	3	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1337	0.239	3	109.1337	0.057	3	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	109.4685	0.852	2	109.2913	0.457	3	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9370	0.000	1	109.2913	0.457	3	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6a,6a]C[6a,6a]N[6a])(C[6,6a]C[6a,6a]O[6])(C[6]C[6]HH){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.4680	0.011	2	109.4680	0.000	2	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|I<1>,1|O<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5100	0.040	2	108.6769	0.018	8	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|C<4>,1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7103	0.122	4	108.6769	0.018	8	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.7770	0.006	2	108.6769	0.018	8	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HS)(H)2{1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3650	1.101	4	109.3650	1.213	4	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.6620	0.042	2	109.6620	0.002	2	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<3>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8565	0.041	4	109.1993	0.283	6	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(H)2{4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){2|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8850	0.018	2	109.1993	0.283	6	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]O[6]CC)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|O<2>,2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8065	0.028	2	108.8065	0.001	2	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]S[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]2)(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0350	0.000	1	109.0350	0.000	1	109.1846	0.660	64	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[6,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9560	0.000	1	108.9560	0.000	1	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0980	0.037	2	109.0980	0.001	2	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7240	0.048	2	108.9945	0.054	6	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0240	0.016	2	108.9945	0.054	6	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]N[6a]C[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]H)	109.2355	0.032	2	108.9945	0.054	6	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3750	0.000	1	109.3750	0.000	1	109.0494	0.045	10	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.1290	0.000	1	109.0010	0.013	8	108.9808	0.015	9	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9210	0.057	4	109.0010	0.013	8	108.9808	0.015	9	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0650	0.120	3	109.0010	0.013	8	108.9808	0.015	9	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[6,6a](N[5a,6a]C[5a,6a]O[5a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	108.8190	0.000	1	108.8190	0.000	1	108.9808	0.015	9	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.3365	1.514	2	107.3365	2.292	2	108.1582	1.043	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5690	0.547	4	108.5690	0.299	4	108.1582	1.043	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CC)(H)2{1|N<3>,2|H<1>,3|C<3>}	C[6,6a](N[6a,6a]N[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){2|O<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.0190	0.000	1	109.0190	0.000	1	109.2930	0.150	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6a,6a]C[6,6a])(C[6]C[6]CH)(H)2{2|H<1>,4|C<3>}	C[6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH){1|H<1>,1|N<2>,2|C<4>,2|O<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.5670	0.000	1	109.5670	0.000	1	109.2930	0.150	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(H)(O){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.0755	0.319	2	107.0755	0.102	2	107.1485	13.664	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]O)	100.0960	0.000	1	100.0960	0.000	1	107.1485	13.664	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6]C)(H)(O){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	110.4350	0.000	1	110.4350	0.000	1	107.1485	13.664	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|H<1>,1|S<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0130	0.000	1	109.1045	0.017	2	107.1485	13.664	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:H-1:O-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)(O){1|S<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1960	0.000	1	109.1045	0.017	2	107.1485	13.664	6	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[5,6a]C[6,6a])(N[6,6]C[6,6]C[6]C)(H)2{2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6a]C[5,6a]O[5])(C[6,6a]C[6a]C[6])(C[6]N[6,6]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.1210	0.010	2	109.1210	0.000	2	109.1210	0.000	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6,6a]C[6a])(N[6]In[4,6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C[6,6a](C[6,6,6a]O[4,6,6]C[6,6a])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<5>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	108.1133	0.130	4	108.1133	0.017	4	108.1133	0.017	4	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]CC)(H)2{1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0200	0.011	2	109.0200	0.000	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]B[6]HH)(H)2{1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|B<4>,1|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.5995	0.212	6	109.5995	0.045	6	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9090	0.038	2	108.9090	0.001	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]HH){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.5160	0.135	4	109.5160	0.018	4	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	108.8830	0.011	2	108.8830	0.000	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1730	0.035	2	109.1730	0.001	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	110.2955	1.290	4	110.2955	1.665	4	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1925	0.064	4	109.1356	0.008	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]N[6]H)	109.0555	0.041	4	109.1356	0.008	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2280	0.000	1	109.1356	0.008	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]PdC)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	108.9830	0.000	1	108.9830	0.000	1	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<3>,1|N<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.2175	0.098	4	109.1611	0.036	8	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(H)2{1|H<1>,1|N<4>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|Ga<4>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]H)	109.1047	0.256	4	109.1611	0.036	8	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[4,6]C[6]H)(H)2{1|I<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	108.8465	0.019	2	108.8465	0.000	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]CC)(H)2{2|Cl<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[6]H)	107.1575	0.122	2	107.1575	0.015	2	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	109.1565	0.083	2	109.2420	0.048	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.3510	0.000	1	109.2420	0.048	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{1|O<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){2|In<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.4835	0.029	2	109.2420	0.048	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Br<1>,1|C<4>,1|H<1>,1|O<2>,1|O<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<5>,1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]N[6]H)	108.9220	0.054	2	109.2420	0.048	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH)	H(C[6]C[6,6a]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]In[6]C[6]H)(H)2{2|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HH){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]H)	109.3515	0.015	2	109.2420	0.048	9	109.2168	0.409	53	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[3,6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]B[3,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]P[6]H)	109.0790	0.006	2	109.0790	0.000	2	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,1|P<3>,3|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]P[6]H)	108.5360	0.000	1	108.8243	0.062	3	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6,6]C[6]2)(H)2{1|B<4>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]B[6,6]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|C<3>,1|P<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]P[6]H)	108.9685	0.005	2	108.8243	0.062	3	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<3>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]P[6]H)	108.5670	0.000	1	108.7883	0.037	3	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]B[6]C[6]2)(H)2{1|B<4>,1|P<4>,2|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]B[6])(C[6a]C[6a]H)(C[6]P[6]HH){1|Br<1>,1|B<4>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]P[6]H)	108.8990	0.010	2	108.7883	0.037	3	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH)	H(C[6]C[6,6a]P[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]B)(H)2{1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HH){1|B<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]P[6]H)	109.6590	0.058	4	109.6590	0.003	4	109.1360	0.178	12	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:S[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH)	H(C[6]C[6,6a]S[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(S[6]C[6,6]OO)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]S[6]HH){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]S[6]H)	109.5540	0.004	2	109.5540	0.000	2	109.5540	0.000	2	109.2164	0.623	4656	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:S[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a])	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]S[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(S[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3791	0.152	14	109.3791	0.023	14	109.3791	0.023	14	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[3x6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.7295	0.025	2	108.7295	0.001	2	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.6210	0.000	1	108.4931	0.021	9	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2930	0.008	2	108.4931	0.021	9	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.6680	0.033	2	108.4931	0.021	9	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4737	0.046	4	108.4931	0.021	9	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(N[6a]C[6a]){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6480	0.027	2	108.6480	0.001	2	108.5533	0.023	13	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]C[6]O)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(O[6a]C[6a]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2915	0.012	2	109.2915	0.000	2	109.2915	0.000	2	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]CC)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|N<2>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	109.0387	0.067	16	109.0387	0.005	16	108.6816	1.070	30	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]HH)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]N[6a]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.1212	1.497	12	108.1212	2.241	12	108.6816	1.070	30	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]O[6]HH)(H)2{3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(N[6a]C[6a]){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.1865	0.023	2	109.1865	0.001	2	108.6816	1.070	30	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	109.0318	0.071	6	109.0318	0.005	6	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8840	0.028	2	108.8359	0.021	8	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8198	0.169	6	108.8359	0.021	8	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8139	0.241	11	109.8139	0.058	11	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.6257	0.067	6	108.5841	0.016	12	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.7250	0.042	2	108.5841	0.016	12	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.4513	0.094	4	108.5841	0.016	12	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.7175	0.250	4	108.9248	0.141	6	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	109.3395	0.036	2	108.9248	0.141	6	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<2>,1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|N<2>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	109.1570	0.021	2	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.2940	0.974	4	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	108.8575	0.013	2	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.5980	0.008	2	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9805	0.035	2	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]H)	108.9417	0.062	4	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6335	0.021	2	108.7442	0.257	18	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]H)	107.5267	1.623	4	107.5267	2.635	4	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]N[6]HH)(H)2{1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	109.2735	0.022	2	109.2735	0.000	2	108.8871	0.495	67	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6,6a]HH)(H)2{4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(O[6a]C[6a]){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]H)	109.8560	0.033	2	109.8560	0.001	2	109.3711	0.154	14	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){2|C<3>,2|O<1>,3|C<4>}	H(C[6]C[6,6a]C[6]H)	108.9552	0.116	6	108.9552	0.013	6	109.3711	0.154	14	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	109.6300	0.024	2	109.6300	0.001	2	109.3711	0.154	14	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HH)(O[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[6]H)	109.6230	0.115	4	109.6230	0.013	4	109.3711	0.154	14	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:H-1:H-1:	N[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](N[6,6a]C[6a]C[6])(C[6]C[6]HH)(N[6a]C[6a]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	107.8724	0.326	5	107.8724	0.106	5	107.8724	0.106	5	108.8795	0.567	145	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]H)(H)2{2|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[3,6]H)	108.1382	0.034	4	108.1382	0.001	4	108.6407	1.311	11	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]H)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	107.8730	1.666	2	107.8730	2.775	2	108.6407	1.311	11	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	108.4850	0.040	3	108.4850	0.002	3	108.6407	1.311	11	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[3,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	110.6470	0.115	2	110.6470	0.013	2	108.6407	1.311	11	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[3x6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2C[6])(H)2{1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[3x6]H)	110.1230	0.017	2	110.1230	0.000	2	110.1230	0.000	2	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[4,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[4,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4,6]C[4]2N[6])(H)2{1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[4,6]H)	109.2275	0.036	2	109.2275	0.001	2	109.2275	0.001	2	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,5,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5350	0.084	4	109.5350	0.007	4	109.4116	0.018	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[5,6,6a]C[5,5,6,6]C[5,6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.3780	0.006	2	109.3780	0.000	2	109.4116	0.018	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,3|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3050	0.106	4	109.3050	0.011	4	109.4116	0.018	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(H)2{1|C<4>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	110.0215	0.037	2	110.0215	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|N<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]Cl){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	108.7195	0.026	2	108.7195	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	111.8650	0.075	2	111.8650	0.006	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|Br<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]Br){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.6135	0.384	2	109.6135	0.147	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	108.7780	0.014	2	108.7780	0.000	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3750	0.031	2	109.8285	0.886	8	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4395	0.015	2	109.8285	0.886	8	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	110.2498	1.262	4	109.8285	0.886	8	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	108.2998	0.125	6	108.2998	0.016	6	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7030	0.020	2	109.7030	0.000	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.8650	0.025	2	109.0257	0.012	16	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.9320	0.028	2	109.0257	0.012	16	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.0681	0.092	12	109.0257	0.012	16	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.5520	0.048	2	109.5520	0.002	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.4400	0.000	1	109.4400	0.000	1	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|F<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]F){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5460	0.024	2	109.5460	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5165	0.030	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.4765	0.011	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3200	0.044	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4780	0.041	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.6515	0.006	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.0960	0.038	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.7940	0.000	1	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3295	0.033	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4975	0.030	2	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.1282	0.221	4	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.5880	0.000	1	109.3012	0.079	22	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4225	0.021	2	109.2622	0.034	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.1020	0.004	2	109.2622	0.034	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.8590	0.000	1	109.8590	0.000	1	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.3995	0.030	2	108.6145	0.062	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.8295	0.021	2	108.6145	0.062	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.9405	0.025	2	109.9405	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.3353	0.029	4	109.3353	0.001	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5050	0.020	2	109.5563	0.004	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.6075	0.033	2	109.5563	0.004	4	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.1540	0.016	2	109.1540	0.000	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4615	0.062	2	109.7431	0.063	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.6220	0.000	1	109.7431	0.063	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7730	0.006	2	109.7431	0.063	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]H)(H)2{1|S<4>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	110.0555	0.046	2	109.7431	0.063	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(H)2{1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3260	0.040	2	109.3260	0.002	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	111.2103	1.895	4	110.4057	1.715	10	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	110.1110	0.035	2	110.4057	1.715	10	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5425	0.046	2	110.4057	1.715	10	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.9545	0.015	2	110.4057	1.715	10	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4900	0.024	2	109.4900	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4820	0.004	2	109.4820	0.000	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|C<4>,1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[5,6]H)	108.2060	0.000	1	108.2060	0.000	1	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N[5])(H)2{1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3760	0.052	2	109.3760	0.003	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]2)(H)2{2|C<3>,2|C<4>,2|H<1>,2|N<3>,2|O<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	110.8575	1.299	6	110.8575	1.686	6	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.5794	0.101	7	109.4710	0.054	9	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]C)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.0915	0.045	2	109.4710	0.054	9	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.2102	0.100	6	109.2102	0.010	6	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[5,6]H)	108.8838	0.313	5	108.8736	0.066	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(H)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[5,6]H)	108.8480	0.020	2	108.8736	0.066	7	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[5,6]H)	109.2040	0.000	1	109.2040	0.000	1	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3240	0.025	2	109.3240	0.001	2	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[5,6]H)	109.5869	0.068	10	109.5869	0.005	10	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7380	0.132	6	109.7645	0.010	16	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[5,6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7804	0.078	10	109.7645	0.010	16	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.6880	0.103	4	109.7018	0.007	6	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7295	0.016	2	109.7018	0.007	6	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7220	0.013	2	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.8317	0.054	16	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7250	0.217	26	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7502	0.102	13	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]H)	109.7476	0.179	7	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7951	0.164	20	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7500	0.010	2	109.7673	0.026	86	109.5824	0.375	265	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]N[6]H)(Br)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(C[6a]C[6a]H){2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]Br)	108.9520	0.000	1	108.9520	0.000	1	108.9520	0.000	1	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.6405	0.013	2	108.6405	0.000	2	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.5465	0.008	2	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.7243	0.030	3	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.8347	0.089	4	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	110.1680	1.646	2	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.7394	0.115	7	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.3539	1.641	8	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.0233	1.390	20	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,3x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.8278	0.509	16	108.9784	1.109	62	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[4,4x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.6005	0.029	2	108.6005	0.001	2	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|C<2>,1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4440	0.075	2	108.2355	1.081	23	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,2|C<3>,5|C<4>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4682	0.076	4	108.2355	1.081	23	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{1|H<1>,3|C<3>,4|C<4>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	107.8784	1.623	9	108.2355	1.081	23	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[5x6]N[6]H)(H)2{2|C<3>,2|H<1>,5|C<4>}	C[6,6a](C[5,6,6a]C[5,4x6]C[5,6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4688	0.336	8	108.2355	1.081	23	108.7703	1.145	89	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]C)(H)2{1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.4060	0.022	3	109.4060	0.000	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2225	0.204	4	109.7279	0.179	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8001	0.397	28	109.7279	0.179	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2){1|N<3>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.2753	0.100	7	108.2753	0.010	7	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.5920	0.129	4	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.4330	0.033	2	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.3360	0.000	1	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6360	0.021	2	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4730	0.023	4	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4100	0.004	2	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]N[6]H)(H)2{2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.5455	0.296	8	108.5182	0.036	23	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.4450	0.016	2	108.9460	0.155	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.6195	0.042	2	108.9460	0.155	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6]2)(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.7735	0.054	2	108.9460	0.155	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|H<1>,1|O<2>,2|C<3>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9893	0.049	3	108.9893	0.002	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5350	0.008	2	109.5350	0.000	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9005	0.046	2	108.9005	0.002	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2H)(H)2{1|C<3>,1|O<1>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2450	0.018	2	108.2450	0.000	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|C<4>,2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1200	0.000	1	108.6023	0.201	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.3435	0.006	2	108.6023	0.201	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.0935	0.046	2	109.0935	0.002	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.0195	0.179	8	108.5451	0.797	20	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	107.9532	1.930	4	108.5451	0.797	20	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4432	0.173	6	108.5451	0.797	20	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	108.1370	0.014	2	108.5451	0.797	20	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1850	0.000	1	109.1850	0.000	1	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2285	0.018	2	108.2285	0.000	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.6550	0.000	1	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|F<1>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.2700	0.034	2	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.1940	0.069	4	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5577	0.247	7	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3774	0.634	8	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8135	0.025	2	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0850	0.013	2	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5045	0.005	2	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	107.9952	1.380	4	108.8963	0.530	32	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.3305	0.080	12	108.3305	0.006	12	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	110.8445	0.016	2	110.8445	0.000	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8210	0.593	2	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3753	0.127	7	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6145	0.008	2	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2738	0.218	6	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.2350	0.020	2	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5065	0.035	4	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4497	0.044	4	109.3495	0.061	27	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)(C[6a]O[6a]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.5755	0.049	2	109.5755	0.002	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.8295	0.011	2	108.8120	0.012	5	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|Cl<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.8003	0.152	3	108.8120	0.012	5	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]Ru)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|Ru<9>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0869	0.228	7	109.0869	0.052	7	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.0100	0.017	2	108.8802	0.168	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0290	0.693	2	108.8802	0.168	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]H)(H)2{2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<4>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.6015	0.354	2	108.8802	0.168	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.1960	0.023	2	108.2627	0.006	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]C)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.3295	0.008	2	108.2627	0.006	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5090	0.287	6	108.4985	0.059	8	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4670	0.010	2	108.4985	0.059	8	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5567	0.109	6	108.5567	0.012	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5530	0.023	2	108.5530	0.001	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.2965	0.033	2	108.2965	0.001	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6]H)(H)2{1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.6000	0.055	2	109.6000	0.003	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4715	0.015	2	109.2275	0.058	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[6,6a]C[6,6]H)	109.1055	0.191	4	109.2275	0.058	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{2|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]N){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0770	0.024	2	109.0770	0.001	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2N[6])(H)2{1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1170	0.040	2	109.1170	0.002	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.1690	0.007	2	108.2917	0.045	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5370	0.000	1	108.2917	0.045	3	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.6975	0.029	4	108.6975	0.001	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0380	0.000	1	109.0380	0.000	1	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.6255	0.050	2	109.4827	0.028	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(H)2{1|N<2>,2|C<4>,2|H<1>,2|N<3>,3|O<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6]C[6,6]HH)(C[6a]N[6a]O){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.3400	0.010	2	109.4827	0.028	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9300	0.137	8	109.0126	0.045	10	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]2)(H)2{2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.3430	0.028	2	109.0126	0.045	10	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	106.7360	0.409	2	107.8790	0.864	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.4340	0.481	2	107.8790	0.864	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	108.4670	0.017	2	107.8790	0.864	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8735	0.037	2	110.7093	4.585	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	113.1795	1.991	2	110.7093	4.585	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0750	0.134	2	110.7093	4.585	6	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0805	0.631	4	109.0805	0.398	4	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	109.5515	0.057	2	109.7908	0.030	9	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8640	0.000	1	109.7908	0.030	9	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]C[6]H)(H)2{1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	109.8583	0.135	6	109.7908	0.030	9	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]O[6,6]O[6]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6,6]H)	110.7050	0.624	2	110.7050	0.389	2	109.0068	0.602	284	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6]H)(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7303	0.074	15	109.7303	0.005	15	109.7303	0.005	15	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Br-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Br)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]BrH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]Br)	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.5610	0.000	1	108.7800	0.096	2	108.5458	0.216	5	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(Cl)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.9990	0.000	1	108.7800	0.096	2	108.5458	0.216	5	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(Cl)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.3670	0.000	1	108.3670	0.000	1	108.5458	0.216	5	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(Cl)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]Cl)	108.9410	0.000	1	108.9410	0.000	1	108.5458	0.216	5	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(Cl)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6]Cl)	107.8610	0.000	1	107.8610	0.000	1	108.5458	0.216	5	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]B[6]C[5]2)(H)2{1|N<3>,2|C<3>,2|C<4>,2|F<1>,5|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.3330	0.020	2	109.3330	0.000	2	109.1227	0.044	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[5,6]C[5]C)(H)2{1|O<3>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<5>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.3540	0.013	2	109.3540	0.000	2	109.1227	0.044	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]Ga[6]C[5]2)(H)2{1|Cl<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<4>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.8515	0.005	2	108.8515	0.000	2	109.1227	0.044	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[5,6]C[5]C)(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.9755	0.019	2	108.9755	0.000	2	109.1227	0.044	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[5,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]In[6]C[5]2)(H)2{1|I<1>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<4>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.0995	0.063	2	109.0995	0.004	2	109.1227	0.044	10	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2147	0.053	3	109.2581	0.015	7	109.0543	0.052	15	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6]C)(H)2{3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|B<4>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.2908	0.155	4	109.2581	0.015	7	109.0543	0.052	15	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]N[6,6]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6]H)(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]N[6,6]H)	108.8760	0.114	8	108.8760	0.013	8	109.0543	0.052	15	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[5a,6]CC)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.7815	0.006	2	109.7815	0.000	2	109.6001	0.058	7	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.5300	0.000	1	109.5276	0.065	5	109.6001	0.058	7	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:Si[6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]Si[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(Si[6]C[6]CC)(H)2{2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]Si[6]H)	109.5270	0.294	4	109.5276	0.065	5	109.6001	0.058	7	109.2141	0.650	717	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:2:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:O[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]HO){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.6563	0.440	3	109.6563	0.194	3	109.6563	0.194	3	109.6563	0.194	3	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	106.1330	0.000	2	106.9440	1.973	3	106.9440	1.973	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C-4:N[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(N[6]C[6])(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	108.5660	0.000	1	106.9440	1.973	3	106.9440	1.973	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]CH)(O[6]C[6])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|C<3>,3|H<1>}	H(C[6]C[6,6a]O[6]C)	108.2615	0.699	2	108.2615	0.489	2	107.6160	1.495	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C-4:O[6]-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH)	H(C[6]C[6,6a]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6a]HH)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]CH){2|O<2>,4|C<3>}	H(C[6]C[6,6a]O[6]C)	106.3250	0.000	1	106.3250	0.000	1	107.6160	1.495	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]2O[3])(OH)(H){2|C<4>,3|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[3,6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[3,6]O)	108.9480	0.772	8	108.9480	0.596	8	108.9480	0.596	8	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	H(C[6]C[6,6a]C[5,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NN)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]N)	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	109.8780	0.000	1	109.8780	0.000	1	111.5635	5.682	2	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)(C[6]C[5,6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	113.2490	0.000	1	113.2490	0.000	1	111.5635	5.682	2	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[5,6]HO){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	109.8570	0.000	1	109.8570	0.000	1	109.8570	0.000	1	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CN)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	111.0260	0.000	1	111.0260	0.000	1	108.9818	2.124	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CN)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5790	0.000	1	107.5790	0.000	1	108.9818	2.124	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.5630	0.000	1	108.6610	0.019	2	108.9818	2.124	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7590	0.000	1	108.6610	0.019	2	108.9818	2.124	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0620	0.253	3	108.0620	0.064	3	108.0620	0.064	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	108.3400	0.000	1	108.3400	0.000	1	108.1619	0.541	7	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NN)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HN){1|C<3>,2|N<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	108.1322	0.801	6	108.1322	0.642	6	108.1619	0.541	7	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CO)(NC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N)	107.6060	0.000	1	107.6060	0.000	1	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(NC[6a])(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	109.8260	0.147	2	109.8260	0.022	2	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	108.7260	0.000	1	108.7260	0.000	1	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	107.6530	0.000	1	107.6530	0.000	1	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]N)	108.5703	0.375	4	108.5703	0.140	4	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<2>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	108.7260	0.000	1	109.0200	0.173	2	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	109.3140	0.000	1	109.0200	0.173	2	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NN)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]N)	108.9900	0.000	1	108.9900	0.000	1	108.7457	0.525	12	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.7210	0.146	2	108.7210	0.021	2	108.5275	0.670	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]O)(C[6]C[6]HO){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3340	1.356	2	108.3340	1.839	2	108.5275	0.670	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a,6a])(C[6]C[6,6a]CH)(OH)(H){5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]HO){1|C<4>,1|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	107.5800	0.000	1	107.5800	0.000	1	107.5800	0.000	1	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.2565	0.330	2	109.2565	0.109	2	108.5618	0.566	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]CO)(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.0280	0.000	1	108.0280	0.000	1	108.5618	0.566	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6]O)	107.6150	0.000	1	107.6150	0.000	1	108.5618	0.566	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.6530	0.000	1	108.6530	0.000	1	108.5618	0.566	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1645	0.074	2	109.1645	0.006	2	109.2093	0.009	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]2)(C[6]O[6]CH)(OH)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HO){1|C<3>,1|O<1>,2|C<4>,3|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]O)	109.2990	0.000	1	109.2990	0.000	1	109.2093	0.009	3	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.4330	0.000	1	107.4330	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(OH)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]N[6a])(C[6a]C[6,6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6]O)	106.3505	0.060	2	106.3505	0.004	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HO)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.7480	0.000	1	107.7480	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	107.7730	0.000	1	108.0830	0.192	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(OH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<2>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3930	0.000	1	108.0830	0.192	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6]O)	107.6270	0.000	1	107.6270	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(OH)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.9390	0.000	1	108.9390	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	107.7080	0.000	1	107.7080	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CC)(OH)(H){1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0555	0.991	2	108.0555	0.981	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]N)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	106.2380	0.000	1	106.2380	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]O)(OH)(H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	106.6570	0.000	1	106.6570	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(OH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]N)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	106.8940	0.000	1	106.8940	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.6280	0.000	1	107.6280	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HO)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]O)	107.5140	0.000	1	107.5140	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	108.5780	0.000	1	108.5780	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.6650	0.000	1	108.6650	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	109.1500	0.494	2	109.1500	0.244	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	107.6500	0.000	1	107.6500	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	107.6875	0.221	2	107.6875	0.049	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	110.2400	0.000	1	110.2573	0.003	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	110.2660	0.072	2	110.2573	0.003	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OC)(H){1|C<3>,1|N<2>,2|C<4>,2|O<2>}	C[6,6a](C[6,6a]N[6a]O[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	109.9650	0.000	1	109.9650	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.7120	0.000	1	109.7120	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]Br)(C[6]C[6]HO){2|Br<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.4340	0.786	2	108.4340	0.618	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.8207	1.154	3	108.5180	0.875	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0640	0.386	2	108.5180	0.875	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]BrN)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	109.2600	0.000	1	109.2600	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1067	0.811	3	109.1067	0.658	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.1570	0.000	1	107.1570	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	110.8285	1.412	2	110.8285	1.994	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CF)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.6770	0.000	1	108.6770	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OC)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	110.2600	0.000	1	110.2600	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3370	0.059	2	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	106.9920	0.000	1	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.6047	1.929	3	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	105.3995	2.256	2	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	107.2390	0.000	1	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1620	0.000	1	107.6680	3.248	10	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	107.3480	0.000	1	107.8130	0.432	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2780	0.000	1	107.8130	0.432	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.2140	0.000	1	109.2140	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.5145	0.035	2	108.8257	1.092	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.3070	0.000	1	108.8257	1.092	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.9670	0.000	1	108.8257	1.092	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(OC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	110.4940	0.000	1	110.4940	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0150	0.000	1	109.0150	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	107.4225	0.107	2	107.4225	0.011	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	109.8160	0.000	1	109.7630	0.011	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]O)	109.7453	0.120	3	109.7630	0.011	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]HO){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	113.3220	0.000	1	113.3220	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1440	0.000	1	109.1440	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<4>,1|I<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]I)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	109.2120	0.387	4	109.2120	0.150	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0440	0.000	1	109.0440	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1870	0.000	1	107.1085	8.640	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	105.0300	0.000	1	107.1085	8.640	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5920	0.645	2	108.7503	0.283	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.0670	0.000	1	108.7503	0.283	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.6225	0.045	2	109.6225	0.002	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OC[6])(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3525	0.507	2	108.3525	0.257	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5080	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	106.9740	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	105.0690	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	107.3260	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	109.3990	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|I<1>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.6370	0.000	1	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.0035	0.525	2	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.6972	0.634	4	107.5591	1.293	12	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	109.3930	0.000	1	109.6680	0.151	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	109.9430	0.000	1	109.6680	0.151	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2950	0.000	1	108.2950	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|H<1>,1|S<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.1265	1.040	4	108.1265	1.081	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.9890	0.000	1	108.9890	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(OSi)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]O)	108.1090	0.000	1	108.1090	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5450	0.000	1	108.7670	0.058	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.8225	0.239	4	108.7670	0.058	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.1415	0.262	2	109.1415	0.069	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H)	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(OH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]S[6])(C[6a]C[6a,6a]H)(C[6]C[6]HO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[6]O)	108.3545	1.073	2	108.3545	1.151	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|I<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.6450	0.000	1	109.6450	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OC)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	111.2430	0.000	1	111.2430	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.6960	0.000	1	108.6960	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	109.0360	0.000	1	109.0360	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	107.0905	1.466	4	107.3662	1.992	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OH)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	108.4690	0.000	1	107.3662	1.992	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(OSi)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.6500	0.000	1	109.6500	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]HO){1|C<4>,1|O<2>,1|P<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	105.9910	0.000	1	105.9910	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(OH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.5680	0.000	1	108.5680	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.4730	0.020	2	108.1128	0.676	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(OH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.7525	0.626	2	108.1128	0.676	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|F<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0620	0.000	1	108.1440	0.013	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(OH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2260	0.000	1	108.1440	0.013	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OC)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.8550	0.000	1	109.8550	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.0400	0.000	1	107.3558	1.568	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.0440	0.086	2	107.3558	1.568	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	108.9990	0.000	1	107.3558	1.568	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	105.6520	0.000	1	107.3558	1.568	5	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	110.6630	0.410	2	110.6630	0.168	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(OH)(H){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.1570	0.000	1	107.1570	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]P[6])(OH)(H){1|H<1>,1|O<1>,1|S<2>,2|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0950	0.000	1	107.0950	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(OSi)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	110.0080	0.000	1	110.0080	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.2260	1.715	2	108.2260	2.943	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a]C[6]H)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	108.4320	0.000	1	108.4320	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.9400	0.000	1	109.2140	0.150	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(OH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	109.4880	0.000	1	109.2140	0.150	2	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	110.0267	1.226	3	109.9707	1.014	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.8030	0.000	1	109.9707	1.014	4	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	107.7400	0.000	1	109.0954	0.544	9	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]O)	109.2649	0.571	8	109.0954	0.544	9	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(OH)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]HO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]O)	109.2250	0.000	1	109.2250	0.000	1	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]HH)(OC)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HO){1|C<3>,1|N<2>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]O)	109.5933	0.503	3	109.5933	0.253	3	108.5399	1.772	166	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a,6]CC)(OH)(H){1|N<3>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]N[5a,6]C[6a])(C[6]C[6]HO){1|N<2>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]O)	107.0140	0.000	1	107.0140	0.000	1	108.7486	1.203	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	108.8320	0.000	1	108.8320	0.000	1	108.7486	1.203	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]BrH)(OH)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	109.8070	0.000	1	109.8070	0.000	1	108.7486	1.203	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(OH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	108.5440	0.000	1	108.5440	0.000	1	108.7486	1.203	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H)	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO)	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HO)(OC)(H){2|C<3>,2|C<4>,2|O<2>}	C[6,6a](C[6a,6a]C[6a,6a]O[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O)	109.5460	0.000	1	109.5460	0.000	1	108.7486	1.203	5	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H)	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(SC[6a])(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6a]C[6])2(C[6]C[6]HS){1|C<3>,2|S<2>,4|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]S)	108.4682	0.572	6	108.4682	0.327	6	108.4682	0.327	6	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(SC[6a])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6a]C[6]S)	107.5425	0.333	2	107.5425	0.111	2	106.9078	0.581	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:S-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(SC)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]S)	106.2730	0.141	2	106.2730	0.020	2	106.9078	0.581	4	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO)	H(C[6]C[6,6a]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Ga[6,6]CH)(OC)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HO){1|Ga<5>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]O)	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO)	H(C[6]C[6,6a]P[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]ClW)(OC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]HO){1|Cl<1>,1|W<6>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]P[6]O)	109.2770	0.000	1	109.2770	0.000	1	109.2770	0.000	1	108.5418	1.617	240	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:2:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a])	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6,6]C[6,6]O[6]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(O[6a]C[6a]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	106.6970	0.000	1	106.6970	0.000	1	106.6970	0.000	1	108.0102	1.521	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(OH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HO)(N[6a]C[6a]){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]O)	108.3385	1.144	4	108.3385	1.310	4	108.3385	1.310	4	108.0102	1.521	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(OH)(H){1|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[3,6]O)	108.2680	0.000	1	108.2680	0.000	1	108.3892	0.166	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]C)(OC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[3,6]O)	108.1810	0.000	1	108.1810	0.000	1	108.3892	0.166	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[3,6]O)	108.5910	0.000	1	108.5910	0.000	1	108.3892	0.166	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OC)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[3,6]O)	108.9810	0.000	1	108.9810	0.000	1	108.3892	0.166	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]O[3]H)(OH)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3,6]HO)(C[6a]C[6a]O){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[3,6]O)	107.9250	0.000	1	107.9250	0.000	1	108.3892	0.166	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CN)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	108.7490	0.000	1	108.7490	0.000	1	108.7490	0.000	1	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	107.6510	0.000	1	107.6510	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	107.2755	0.344	2	107.1980	0.077	3	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	107.0430	0.000	1	107.1980	0.077	3	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<2>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]O)	107.3640	0.000	1	107.3640	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.3425	0.844	2	108.3425	0.712	2	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OC)(H){1|H<1>,2|C<3>,2|O<2>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]O)	106.7600	0.000	1	106.7600	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.0140	2.400	2	108.0140	5.760	2	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(OSi)(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.3330	0.000	1	108.3330	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(OC)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]O)	109.0340	0.000	1	109.0340	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OH)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]O)	109.8430	0.000	1	109.8430	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(OSi)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[5,6]O)	108.3515	0.120	2	108.3515	0.014	2	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]S[5]H)(OH)(H){1|S<2>,2|H<1>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.2340	0.000	1	108.2340	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OC[6])(H){1|C<4>,4|C<3>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	110.0320	0.163	2	110.0320	0.026	2	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(OH)(H){1|O<1>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.5470	0.293	2	108.5470	0.086	2	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(OC)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	109.3220	0.000	1	109.3220	0.000	1	108.3195	1.216	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:O-2:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[5,6]O)	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]2Fe)(O[6]C[6])(H){2|C<3>,3|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]O[6]H)(C[6a]C[6a]H){1|Fe<10>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5]O[6])	107.8230	0.000	1	107.8230	0.000	1	107.8230	0.000	1	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	110.4700	0.000	1	110.4700	0.000	1	110.4700	0.000	1	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]O)	108.4835	0.199	2	108.4835	0.039	2	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]O)	105.3430	0.000	1	105.3430	0.000	1	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	108.0110	0.274	2	107.6377	0.301	7	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.4168	0.642	4	107.6377	0.301	7	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(OH)(H){1|O<2>,2|C<3>,6|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.7750	0.000	1	107.6377	0.301	7	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6,6a]C[6,6]O)	109.2140	0.000	1	108.3550	0.514	5	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6,6]O)	108.4373	0.192	3	108.3550	0.514	5	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	H(C[6]C[6,6a]C[6,6]O)	107.2490	0.000	1	108.3550	0.514	5	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6a]C[6,6]O)	108.1470	0.232	2	108.1470	0.054	2	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(OH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.1490	0.000	1	107.1490	0.000	1	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]O)(OH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	104.4390	0.000	1	104.4390	0.000	1	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]O)	107.1520	0.000	1	106.7510	0.322	2	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(OH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]O)	106.3500	0.000	1	106.7510	0.322	2	107.5682	1.300	21	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,2|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.2760	0.000	1	107.2760	0.000	1	107.8785	0.726	2	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]S[6])(H){1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[6])	108.4810	0.000	1	108.4810	0.000	1	107.8785	0.726	2	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]O[6])	107.3030	0.000	1	106.9823	0.087	3	107.2228	0.169	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.9230	0.000	1	106.9823	0.087	3	107.2228	0.169	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]O)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]O[6])	106.7210	0.000	1	106.9823	0.087	3	107.2228	0.169	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:2:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O[6]H)(O[6]C[6])(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]O[6])	107.5835	0.264	2	107.5835	0.070	2	107.2228	0.169	5	108.0220	1.344	58	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN)	H(C[6]C[6,6a]C[5,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NCH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[5,6]HN){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]N)	108.5588	0.398	4	108.5588	0.159	4	108.5588	0.159	4	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H)	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.6980	0.000	1	106.6980	0.000	1	107.7670	2.286	2	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6]C)	108.8360	0.000	1	108.8360	0.000	1	107.7670	2.286	2	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[6]C)	108.3057	0.803	3	108.3057	0.645	3	108.3057	0.645	3	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]C[6a]H)(CC[6a]O)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.9320	0.000	1	106.9320	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(COO)(H){1|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.1730	0.000	1	109.1730	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7120	0.000	1	107.7120	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.5580	0.000	1	108.6650	0.023	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7720	0.000	1	108.6650	0.023	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]HH)(COO)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.4860	0.000	1	107.4860	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.7150	0.000	1	108.7150	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CN[5]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.1940	0.607	2	109.1940	0.368	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9680	0.000	1	107.9680	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(CCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3990	0.000	1	108.3990	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CCH)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|S<4>,2|C<2>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7140	0.000	1	107.7140	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(COO)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3530	0.000	1	106.3530	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	110.0050	0.000	1	110.0050	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5170	0.000	1	106.5170	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2385	0.112	2	107.2385	0.013	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.0490	0.000	1	107.0490	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.7940	0.000	1	106.7940	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.5580	0.000	1	108.5580	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCO)(H){1|S<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5915	0.097	2	107.5915	0.009	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0130	0.000	1	108.0130	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3310	0.000	1	107.3310	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CC[6a]O)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.4610	0.000	1	107.4610	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H)	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(COO)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]O[6a]C[6])(C[6a]C[6a,6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2875	0.247	2	107.2875	0.061	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HP)(COO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4460	0.000	1	108.4460	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CCH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.0400	0.000	1	107.0400	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.6675	0.374	2	108.6675	0.140	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.0840	0.000	1	107.8070	2.356	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.1040	0.000	1	107.8070	2.356	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.2330	0.000	1	107.8070	2.356	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.8775	0.986	2	107.8775	0.973	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)(H){1|H<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	104.9515	1.064	2	104.9515	1.133	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9055	0.525	2	108.1486	3.931	8	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7053	3.464	3	108.1486	3.931	8	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(COO)(H){1|H<1>,1|S<4>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7540	0.930	3	108.1486	3.931	8	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(COO)(H){1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	110.1190	0.000	1	110.1190	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]CO)(COO)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7503	0.304	3	107.7503	0.092	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5080	0.541	3	107.5080	0.293	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7820	0.000	1	107.7755	0.000	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7690	0.000	1	107.7755	0.000	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CC)(CNO)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.6560	0.000	1	108.6560	0.000	1	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCC)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]C)	107.4265	0.218	2	107.4265	0.048	2	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.9707	0.285	3	107.9707	0.081	3	107.8375	1.401	61	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(CCH)(H){1|C<4>,5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5545	0.733	2	106.5545	0.538	2	106.5545	0.538	2	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]C)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,2|C<4>,6|C<3>}	H(C[6]C[6,6a]C[6]2)	106.9447	0.163	4	106.9447	0.027	4	106.9447	0.027	4	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[6]2H){2|H<1>,3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	107.2650	0.000	1	107.2650	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	108.2700	0.000	1	108.2700	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	111.2110	0.000	1	111.2110	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2H)(C[6]C[6]H)(H){1|H<1>,2|C<4>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<4>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	108.4350	0.000	1	108.4350	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[5,6]H)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	107.6705	0.101	2	107.6705	0.010	2	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6,6a]2)(H){10|C<3>,1|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6]2)	98.8563	1.149	2	98.8563	1.321	2	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]C)(C[6]C[6]2H){1|C<2>,1|O<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]2)	109.0420	0.201	2	109.0420	0.040	2	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]O)(H){1|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	108.7060	0.000	1	108.7060	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	109.2510	0.000	1	109.2510	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	106.7600	0.000	1	106.7600	0.000	1	107.0027	14.397	13	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H){3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4070	0.861	2	106.4070	0.742	2	106.4070	0.742	2	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(NCH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]HN){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(NHS)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	107.1420	0.000	1	107.1420	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]H)(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	107.2325	0.398	2	107.2325	0.158	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HO)(NCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N)	107.0630	0.000	1	107.0630	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(NCH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0195	0.030	2	107.0195	0.001	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	107.5040	0.000	1	107.5040	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NC[6a]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	108.0550	0.000	1	108.0550	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	109.9260	0.000	1	109.9260	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHP)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.1100	0.000	1	107.1100	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	108.3760	0.000	1	109.2595	3.622	4	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	110.8070	0.636	2	109.2595	3.622	4	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0480	0.000	1	109.2595	3.622	4	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	108.1810	0.000	1	107.8380	0.235	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.4950	0.000	1	107.8380	0.235	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	107.6180	0.000	1	108.1020	1.054	3	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(NC[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.3440	1.325	2	108.1020	1.054	3	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FH)(NSS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|F<1>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	105.3127	0.424	3	105.3127	0.180	3	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]N)	107.5479	0.558	8	107.5479	0.311	8	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCH)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]N)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	108.1270	0.000	1	108.1270	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]N)	106.1315	0.039	2	106.1315	0.002	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	106.7540	0.000	1	106.7540	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]C)(C[6]C[6]HN){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	110.3780	0.000	1	110.3780	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NC[6a]H)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.9740	0.000	1	107.9740	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0720	0.000	1	107.0720	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	108.4530	0.068	2	108.2427	0.135	3	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NHS)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.8220	0.000	1	108.2427	0.135	3	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.1370	0.000	1	107.1370	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(NHS)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	106.5680	0.000	1	106.5680	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.6970	0.000	1	107.6970	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(NCH)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]N)	108.6410	0.000	1	108.6410	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NCH)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	106.4050	0.000	1	106.4050	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NHS)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	107.8200	0.977	2	107.8200	0.955	2	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(NN[5a]H)(H){3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]N)	109.2510	0.000	1	109.2510	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(NHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.3410	0.000	1	107.3410	0.000	1	107.6453	1.527	49	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NC[6a]H)(H){2|O<2>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.1940	0.000	1	107.1940	0.000	1	108.3823	0.879	6	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(NHS)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]HN){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	108.2665	0.258	4	108.2665	0.067	4	108.3823	0.879	6	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]CH)(NN[5]C)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]HN){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]N)	110.0340	0.000	1	110.0340	0.000	1	108.3823	0.879	6	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[5a]C[6a])(C[6]C[6]N[5]H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[5])	107.6880	0.427	3	107.6880	0.182	3	107.6880	0.182	3	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(CCC)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]N[6]CH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6]C)	111.8500	1.595	2	111.8500	2.545	2	111.8500	2.545	2	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN)	H(C[6]C[6,6a]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]Nb[6,6]CC)(NCC)(H){1|H<1>,1|N<2>,2|C<3>,2|N<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]N[6]HN){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6]N)	105.1170	0.000	1	105.1170	0.000	1	105.1170	0.000	1	107.7312	2.679	153	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a])	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(N[6a]C[6a,6a]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1597	0.219	3	107.1597	0.048	3	107.1597	0.048	3	106.8645	0.380	4	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:2:	4:	C[6,6a]-3:C[6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a])	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(NCC)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]HN)(N[6a]C[6a]){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]N)	105.9790	0.000	1	105.9790	0.000	1	105.9790	0.000	1	106.8645	0.380	4	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[3,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]C[6a]H)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[3,6]C[6a])	107.5245	0.528	2	107.5245	0.279	2	107.5245	0.279	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]N)	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[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[3,6]N)	108.7010	0.000	1	108.7010	0.000	1	108.7010	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.7390	0.068	2	106.7390	0.005	2	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.6700	0.000	1	106.6700	0.000	1	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H)	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>,4|C<4>}	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.8992	0.385	8	107.8992	0.148	8	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.0970	0.000	1	107.0970	0.000	1	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(COO)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]C)	107.8650	0.000	1	107.8650	0.000	1	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CCC)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	106.3050	0.000	1	106.3050	0.000	1	107.4721	0.452	14	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]C[6]H)(C[6a]C[5,6a]H){1|C<2>,1|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6])	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[5,6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.8530	0.000	1	105.8530	0.000	1	107.3710	1.118	4	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7210	0.000	1	107.7210	0.000	1	107.3710	1.118	4	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[5,6]C[6a]H)(C[6a]O[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9550	0.494	2	107.9550	0.244	2	107.3710	1.118	4	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6]){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.1600	0.000	1	105.1600	0.000	1	105.1600	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(NC[6a]H)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]N)	107.0130	0.000	1	107.0130	0.000	1	107.0130	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.5440	0.000	1	107.9447	0.212	4	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.8830	0.438	2	107.9447	0.212	4	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]C[6])	108.4690	0.000	1	107.9447	0.212	4	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.8770	0.000	1	108.3375	0.424	2	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	108.7980	0.000	1	108.3375	0.424	2	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5]C[6])	107.1880	0.000	1	107.9140	1.054	2	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5]C[6])	108.6400	0.000	1	107.9140	1.054	2	108.0352	0.337	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]F)(N[6]S[6]C)(H){1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5]N[6])	104.9260	0.000	1	104.9260	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(N[6]C[6a]C[6])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5]N[6])	106.4525	0.387	2	106.4525	0.150	2	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[5,6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[5]N[6])	107.2640	0.332	2	107.2640	0.110	2	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[6]C[6]C)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[5]N[6])	107.1140	0.033	2	107.1140	0.001	2	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.0405	0.112	2	107.7310	1.437	3	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]C)(N[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	109.1120	0.000	1	107.7310	1.437	3	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.3110	0.000	1	107.3110	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]N[5]H)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5]N[6])	108.7880	0.000	1	108.7880	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]C)(N[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5]N[6])	106.7510	0.000	1	106.7510	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]C[6,6a]C)(H){2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5]N[6])	107.1020	0.000	1	107.1020	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]H)(N[6]N[6]C)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5]N[6]H)(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5]N[6])	108.1920	0.000	1	108.1920	0.000	1	107.1949	1.001	15	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CC[6a]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.5590	0.000	1	107.5590	0.000	1	107.5677	0.183	3	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2O[6])(COO)(H){2|C<4>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.0000	0.000	1	108.0000	0.000	1	107.5677	0.183	3	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CCH)(H){2|H<1>,2|O<1>,3|C<3>,3|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.1440	0.000	1	107.1440	0.000	1	107.5677	0.183	3	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	104.8050	0.000	1	104.8050	0.000	1	104.8050	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6,6]C[6a]H)(C[6a]O[6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5035	0.073	2	107.5035	0.005	2	107.5035	0.005	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.9850	0.000	1	107.9850	0.000	1	107.4700	0.530	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6,6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6])	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]N[6]){1|C<4>,3|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.9550	0.000	1	106.9550	0.000	1	107.4700	0.530	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]N)	106.6430	0.000	1	106.5860	0.006	2	106.5860	0.006	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(NC[6a]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]HN)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]N)	106.5290	0.000	1	106.5860	0.006	2	106.5860	0.006	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:B[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]B[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(B[5]O[5]2)(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]B[5]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]B[5]C[6])	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	105.7710	0.000	1	105.7710	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0050	0.000	1	107.0050	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3340	0.000	1	107.3340	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3290	0.000	1	107.3290	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8905	0.274	2	106.8905	0.075	2	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6550	0.000	1	107.6550	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1870	0.000	1	107.3840	0.078	2	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5810	0.000	1	107.3840	0.078	2	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9700	0.670	2	107.2263	0.479	7	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|P<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4810	1.301	2	107.2263	0.479	7	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.2273	0.486	3	107.2263	0.479	7	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9660	0.000	1	106.9660	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3270	0.000	1	106.3270	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4470	0.000	1	107.4470	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8240	0.000	1	107.3317	0.162	8	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4220	0.038	2	107.3317	0.162	8	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0495	0.037	2	107.3317	0.162	8	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3810	0.255	2	107.3317	0.162	8	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1250	0.000	1	107.3317	0.162	8	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.8180	0.000	1	105.8180	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[5,6a]H){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4280	0.000	1	106.4280	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2380	0.000	1	107.1892	0.427	6	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1027	0.584	3	107.1892	0.427	6	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7945	0.148	2	107.1892	0.427	6	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]F){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9660	0.000	1	106.9660	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|I<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3850	0.000	1	107.0350	3.645	2	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.6850	0.000	1	107.0350	3.645	2	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	110.2000	0.000	1	109.3303	0.570	3	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|O<2>,4|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.8955	0.070	2	109.3303	0.570	3	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	104.8525	1.288	2	104.2853	1.794	3	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	103.1510	0.000	1	104.2853	1.794	3	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	105.9830	0.000	1	105.9830	0.000	1	107.0415	1.371	45	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N[5])	106.7430	0.000	1	106.7430	0.000	1	106.7789	0.133	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[5])	106.7142	0.424	5	106.7142	0.180	5	106.7789	0.133	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N[5])	106.7080	0.000	1	106.7080	0.000	1	106.7789	0.133	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[5])	107.2090	0.000	1	107.2090	0.000	1	106.7789	0.133	8	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(N[6]C[6]2)(H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]N[6])	108.6010	0.000	1	108.6010	0.000	1	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.9150	0.000	1	107.9150	0.000	1	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]B[5]C[6])(H){1|B<3>,2|H<1>,2|O<2>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	108.8560	0.454	2	108.8560	0.206	2	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	108.6270	0.000	1	106.6680	2.879	3	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	105.6885	0.032	2	106.6680	2.879	3	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]N[6])	107.1380	0.478	2	107.1380	0.228	2	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.3070	0.680	2	107.3070	0.463	2	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(N[6]C[6a]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.5120	0.106	2	107.5120	0.011	2	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(N[6]C[6]C)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<1>,2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]N[6])	106.8525	0.142	2	106.8525	0.020	2	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(N[6]C[6]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]N[6])	107.1580	0.000	1	107.1580	0.000	1	107.4381	1.004	16	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]CC)(C[6]C[6]2)(H){1|H<1>,2|C<4>,2|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6]N[6])	108.2780	0.000	1	108.2780	0.000	1	108.2780	0.000	1	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	3:4:3:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]P[6]H)(C[6a]C[6a]H){1|S<1>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]P[6])	107.3110	0.520	2	107.3110	0.271	2	107.3110	0.271	2	107.2583	1.185	130	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1450	0.000	1	107.1450	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4900	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.2690	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|F<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9800	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<2>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.2720	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.6097	0.608	7	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4300	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1200	0.000	1	107.4484	0.351	13	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7200	0.000	1	107.7200	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.4310	0.000	1	106.4310	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.3900	0.000	1	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.7660	0.000	1	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.4565	1.777	2	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.0940	0.000	1	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.6245	0.528	2	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1830	0.000	1	106.8244	1.485	8	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9140	0.470	2	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.1215	0.131	2	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.2640	0.000	1	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9190	0.362	2	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.3130	0.000	1	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7260	0.481	2	107.7938	0.155	10	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.9867	0.217	3	106.9867	0.047	3	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	109.6370	0.000	1	109.6370	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]N[6a]N[6])(C[6a]N[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.8390	0.000	1	106.8390	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.9810	0.000	1	106.9810	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.6010	0.000	1	106.6010	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.1520	0.000	1	105.1520	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[5,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1640	0.000	1	107.1640	0.000	1	107.3021	0.780	43	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:N[5a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H)	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[5,6]N[5a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5a]C[5a]N[5a])(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[5,6]N[5a]H)(C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]N[5a])	108.4583	0.287	3	108.4583	0.082	3	108.4583	0.082	3	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6600	0.000	1	106.6600	0.000	1	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[5,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5360	0.495	2	107.5360	0.245	2	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.7770	0.025	2	107.0973	0.308	3	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.7380	0.000	1	107.0973	0.308	3	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]O){1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.8840	0.000	1	106.8840	0.000	1	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.3910	0.000	2	107.3910	0.000	2	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4740	0.365	2	107.4607	0.045	4	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4475	0.039	2	107.4607	0.045	4	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.4890	0.000	1	108.4890	0.000	1	107.3587	0.254	14	107.3731	0.678	60	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]Br2)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){2|Br<1>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]B[6]C)	106.7820	0.000	1	106.7820	0.000	1	106.0408	1.979	9	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]C[6a]2)(CCCH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]B[6]C)	106.2310	1.526	6	106.2310	2.330	6	106.0408	1.979	9	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]FF)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	H(C[6]C[6,6a]B[6]C)	106.0060	0.000	1	106.0060	0.000	1	106.0408	1.979	9	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:B[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH)	H(C[6]C[6,6a]B[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(B[6]N[6,6]II)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]B[6]CH){1|N<3>,2|C<3>,2|H<1>,2|I<1>}	H(C[6]C[6,6a]B[6]C)	104.1930	0.000	1	104.1930	0.000	1	106.0408	1.979	9	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]2H)(CSi2H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	105.5670	0.000	1	105.5670	0.000	1	106.8092	0.825	4	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.2233	0.456	3	107.2233	0.208	3	106.8092	0.825	4	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]CH)(CC3)(H){2|H<1>,3|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	107.5430	0.000	1	107.5430	0.000	1	106.7468	0.688	10	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.4423	0.551	8	106.4423	0.304	8	106.7468	0.688	10	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]HN)(CCCH)(H){3|C<3>,3|H<1>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[6]C)	108.3870	0.000	1	108.3870	0.000	1	106.7468	0.688	10	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[5a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.4790	0.000	1	107.4790	0.000	1	107.9855	0.256	8	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){2|C<3>,2|C<4>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,2|C<4>,2|H<1>,3|O<2>}	H(C[6]C[6,6a]C[6]C)	107.1500	0.000	1	107.1500	0.000	1	107.9855	0.256	8	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|H<1>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3483	0.320	4	108.3483	0.102	4	107.9855	0.256	8	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H)	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]O[6]HH)(CH3)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6,6a]C[6,6a]C[6,6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9310	0.042	2	107.9310	0.002	2	107.9855	0.256	8	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CCHH)(H){5|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.2275	0.629	2	108.2275	0.395	2	107.4426	1.138	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H)	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6a]HO)(CH3)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0030	0.000	1	108.0030	0.000	1	107.4426	1.138	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]Si[6]CH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3775	0.583	2	106.3775	0.340	2	107.4426	1.138	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]HH)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]C[6]C)	108.2943	0.370	3	108.2943	0.137	3	108.2943	0.137	3	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CCCH)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1990	0.000	1	108.1990	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]HH)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[3,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2995	0.078	2	107.2995	0.006	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3x6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7950	0.000	1	108.7950	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CC)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|H<1>,1|N<3>,2|C<2>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	108.7205	0.526	4	108.7205	0.276	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]CH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.0710	0.000	1	107.0710	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3800	0.000	1	107.3800	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CC3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	105.4400	0.000	1	105.4400	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CClHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	105.9820	0.000	1	105.9820	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5430	0.000	1	106.5430	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.7010	1.510	3	107.7060	3.071	5	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6]H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.2135	0.387	2	107.7060	3.071	5	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H)	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CC)(CCCN)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.0050	0.000	1	106.0050	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]CH)(CCHH)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3650	0.000	1	107.3650	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]H)(CHHO)(H){1|C<4>,1|H<1>,1|S<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.0470	0.000	1	109.0470	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	111.8050	0.000	1	111.8050	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0620	0.000	1	108.0620	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCHH)(H){1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	107.8230	0.000	1	107.8230	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4040	1.781	3	108.7398	1.436	6	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.9235	0.141	2	108.7398	1.436	6	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.3800	0.000	1	108.7398	1.436	6	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CC)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	106.3980	0.000	1	106.3980	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0935	0.071	2	108.0935	0.005	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.9730	0.000	1	107.4910	0.537	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0090	0.000	1	107.4910	0.537	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7930	0.000	1	108.7930	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.2010	0.173	2	109.2000	0.131	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	109.6250	0.000	1	109.2000	0.131	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7730	0.000	1	109.2000	0.131	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.4980	0.000	1	107.4980	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CH3)(H){1|I<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]I)(C[6]C[6]CH){1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.5300	0.000	1	108.5300	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7415	0.258	2	108.7415	0.067	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	105.7940	0.000	1	105.8010	0.002	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	105.8045	0.067	2	105.8010	0.002	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9187	0.268	3	107.9187	0.072	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(CNiHH)(H){1|C<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Ni<5>,1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	110.5090	0.000	1	110.5090	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6,6a]C[6]C)	107.1660	0.000	1	107.1660	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CN)(CHHN)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.1855	0.903	2	107.1855	0.815	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CO)(CCCH)(H){1|O<2>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.4340	0.000	1	106.4340	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]CS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	104.3260	0.000	1	104.3260	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC3)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.1065	0.289	2	106.1065	0.084	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5690	0.000	1	106.5690	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.8220	0.000	1	108.5100	0.195	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCCH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1980	0.000	1	108.5100	0.195	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.1393	0.669	3	107.1393	0.448	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|O<1>,2|C<3>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6a]O[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5240	0.000	1	107.5240	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4080	0.000	1	108.4080	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	106.2040	0.000	1	107.4250	0.723	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5110	0.000	1	107.4250	0.723	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9925	0.168	2	107.4250	0.723	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4060	0.000	1	107.8315	0.660	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2570	0.000	1	107.8315	0.660	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.8900	0.000	1	107.8805	0.127	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3790	0.000	1	107.8805	0.127	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0610	0.000	1	107.8805	0.127	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHH)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1920	0.000	1	107.8805	0.127	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CCHO)(H){3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]C)	107.7830	0.000	1	107.7830	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3270	0.000	1	107.3270	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]2O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1640	0.000	1	108.1640	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CC[6a]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	107.6775	0.219	4	107.6775	0.048	4	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7620	0.000	1	107.6815	0.013	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|F<1>,1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]C)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.6010	0.000	1	107.6815	0.013	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]F)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.1400	0.000	1	107.1400	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|F<1>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]O)(C[6]C[6]CH){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2460	0.000	1	107.2460	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0590	0.175	7	108.0590	0.031	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3370	0.065	2	107.3370	0.004	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2120	0.000	1	107.2120	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9250	0.000	1	107.9250	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9000	0.000	1	107.5220	0.119	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3330	0.157	2	107.5220	0.119	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3330	0.000	1	107.3330	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2050	0.000	1	107.3995	0.076	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|F<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5940	0.000	1	107.3995	0.076	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	96.7498	0.000	1	96.7498	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6,6a](C[6,6a]N[6a]N[6])(C[6a]C[6a,6a]H)(C[6]C[6]CH){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.8290	0.000	1	106.8290	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.8990	0.000	1	107.8990	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9130	0.000	1	107.9130	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3480	0.000	1	108.3480	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3930	0.751	2	108.3407	0.290	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHN)(H){2|C<3>,2|H<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.2360	0.000	1	108.3407	0.290	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHHO)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	107.1590	0.000	1	107.1590	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(CHOP)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3800	0.000	1	107.3800	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.6467	0.882	3	107.6467	0.777	3	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.1150	0.000	1	107.4891	0.821	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4120	0.000	1	107.4891	0.821	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2180	0.651	3	107.4891	0.821	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.5180	0.000	1	107.4891	0.821	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.7250	0.000	1	107.4891	0.821	7	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CCHH)(H){1|S<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3020	0.000	1	108.3020	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6]HN)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.9600	0.000	1	108.9600	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HN)(CC[6a]CH)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.4310	0.000	1	106.4310	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CCHO)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.3530	0.000	1	107.3530	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5a,6a]C)(C[6]C[6]CH){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6]C)	108.0420	0.000	1	108.0420	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	107.5870	0.000	1	107.5870	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9130	0.000	1	107.9130	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HO)(CN[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	107.0610	0.000	1	107.0610	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>,2|F<1>}	H(C[6]C[6,6a]C[6]C)	109.1230	0.000	1	108.9765	0.043	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HS)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.8300	0.000	1	108.9765	0.043	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]SiH)(CH3)(H){1|N<3>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Si<4>,1|C<3>,1|C<4>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.8310	0.000	1	106.8310	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCHH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	105.5970	0.000	1	105.5970	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHN)(H){2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.4840	0.000	1	106.4840	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHHO)(H){2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	110.2490	2.345	2	110.2490	5.498	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.5250	0.000	1	109.5250	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]CH)(CCHO)(H){2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	109.4810	0.000	1	109.4810	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CBrCH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	106.9580	0.000	1	106.9580	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.4840	0.000	1	108.4840	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.8740	0.000	1	106.8740	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[3]HH)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	109.6020	0.000	1	109.6020	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<3>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1220	0.000	1	108.1220	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CHHS)(H){1|Cl<1>,1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]Cl)(C[6]C[6]CH){1|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1460	0.000	1	108.1460	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(CPdHH)(H){1|H<1>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|N<4>,6|H<1>}	H(C[6]C[6,6a]C[6]C)	109.4040	0.000	1	109.4040	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]Nb[6,6]HH)(CH3)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]CH){1|Nb<5>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6]C)	106.7910	0.611	2	106.7910	0.373	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CCCH)(H){1|O<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]CH){1|O<1>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6]C)	108.5250	0.000	1	108.5250	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CH)(CH3)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	H(C[6]C[6,6a]C[6]C)	108.2230	0.040	2	108.2230	0.002	2	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]CO)(CH3)(H){1|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]C)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<1>,4|O<2>}	H(C[6]C[6,6a]C[6]C)	107.9290	0.000	1	107.9290	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]CH)(CCCH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|O<2>,1|S<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	106.5870	0.000	1	106.5870	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCCH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|C<4>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]C[6]C)	107.2290	0.000	1	107.2290	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.6150	0.000	1	107.7992	0.173	5	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.8453	0.465	4	107.7992	0.173	5	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]S[6]HH)(CHHS)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]CH){1|C<3>,1|S<4>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.3310	0.000	1	108.3310	0.000	1	107.7234	1.960	162	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a]H)(C[6]C[6]CH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5,6]HH)(CH3)(H){5|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[5,6]C[6a])(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.0870	0.000	1	108.0870	0.000	1	108.4620	0.114	6	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CCHO)(H){1|H<1>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.1360	0.000	1	108.1360	0.000	1	108.4620	0.114	6	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]HH)(CHHN)(H){1|C<4>,2|O<2>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]O[6])(C[6]C[6]CH){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]C)	108.2980	0.000	1	108.2980	0.000	1	108.4620	0.114	6	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-4:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H)	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH)	H(C[6]C[6,6a]C[6]C)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]N[6]HH)(CHHI)(H){1|C<4>,1|S<4>,3|C<3>}	C[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(C[6]C[6]CH){1|N<3>,4|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]C)	108.7503	0.152	3	108.7503	0.023	3	108.4620	0.114	6	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]2)	108.5835	0.413	4	108.5835	0.170	4	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|C<4>,1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[6]2)	105.9470	0.000	1	107.2742	1.418	6	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6a]O[6]H)(H){1|O<2>,2|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	107.5396	1.115	5	107.2742	1.418	6	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]CO)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6]2)	106.8690	0.000	1	106.8690	0.000	1	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]2H)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	107.9950	0.000	1	107.9950	0.000	1	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C[6]-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6,6a]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O[6]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>,2|O<2>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6]2)	108.1380	0.000	1	108.1380	0.000	1	107.7678	1.060	13	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(NCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[6]N)	107.0975	0.609	2	107.0975	0.371	2	107.2382	0.174	4	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:N-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H)	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN)	H(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HH)(NCHH)(H){1|S<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6a]C[6a]H)(C[6]C[6]HN){1|C<3>,1|N<3>,2|O<1>,4|H<1>}	H(C[6]C[6,6a]C[6]N)	107.3790	0.267	2	107.3790	0.071	2	107.2382	0.174	4	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:P-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H)	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP)	H(C[6]C[6,6a]C[6]P)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(PC[6a]2O)(H){1|N<3>,1|P<4>,2|C<3>,2|H<1>}	C[6,6a](C[6,6a]C[6a,6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HP){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6,6a]C[6]P)	108.4750	0.000	1	108.4750	0.000	1	108.4750	0.000	1	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS)	H(C[6]C[6,6a]C[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(SC[6a]OO)(H){1|N<3>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]C[6]HS){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6]S)	109.0580	0.000	1	109.0580	0.000	1	109.0580	0.000	1	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[5,6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.5830	0.000	1	107.5830	0.000	1	107.8316	0.178	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CC)(CC[6a]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]N[6]C)	107.4190	0.000	1	107.4190	0.000	1	107.8316	0.178	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]CH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CH){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]N[6]C)	107.6980	0.000	1	107.6980	0.000	1	107.8316	0.178	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:N[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH)	H(C[6]C[6,6a]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]N[6]CH){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]N[6]C)	108.2290	0.382	2	108.2290	0.146	2	107.8316	0.178	5	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:3:4:	4:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH)	H(C[6]C[6,6a]P[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6,6a]C[6a]O)(CCHH)(H){1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]H)(C[6]P[6]CH){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]P[6]C)	109.1510	0.000	1	109.1510	0.000	1	109.1510	0.000	1	107.6440	1.755	234	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[3,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H)	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[3,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,3|O<2>}	C[6,6a](C[6,6a]C[6a,6a]O[6])(C[6]C[3,6]CH)(C[6a]O[6a]O){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	H(C[6]C[6,6a]C[3,6]C)	105.9470	0.000	1	105.9470	0.000	1	105.9470	0.000	1	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[5a,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H)	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[5,6]C[5,6a]C[5,6]H)(CCHH)(H){1|N<3>,2|H<1>,5|C<3>}	C[6,6a](C[5a,6,6a]C[5a,6a]C[5a,6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	105.7630	0.000	1	105.7630	0.000	1	105.7630	0.000	1	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]2H)(CCHH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.6047	0.723	3	107.6047	0.522	3	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.1270	0.000	1	107.1270	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.9150	0.000	1	106.9935	0.012	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CCHH)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.0720	0.000	1	106.9935	0.012	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(CF3)(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.5510	0.000	1	107.5510	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(CC[6a]HH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.3200	0.071	2	107.3200	0.005	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.1550	0.000	1	107.1550	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.0670	0.000	1	107.0670	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.7350	0.000	1	107.1107	0.063	4	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(CH3)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[5,6]C)	107.2360	0.004	3	107.1107	0.063	4	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]N)(CCHH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.6330	0.000	1	107.6330	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	107.6030	0.000	1	108.2935	0.954	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2C[6])(CHHN)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	108.9840	0.000	1	108.2935	0.954	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]2O[6])(CCHH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	108.2845	0.453	2	108.2845	0.205	2	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]C[5]H)(CH3)(H){2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	107.5410	0.000	1	107.5410	0.000	1	107.4816	0.329	21	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:C-4:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[6,6a]N[6,6a]C[6a])(C[5,6]O[5,6]C[5]H)(CHHO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[5,6]C)	106.8093	0.561	3	106.8093	0.315	3	106.8093	0.315	3	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]S)	108.5535	0.141	2	108.1830	0.196	4	108.1830	0.196	4	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5,6]-4:S-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(SC[6a]OO)(H){2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HS)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]S)	107.8125	0.142	2	108.1830	0.196	4	108.1830	0.196	4	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[5]-4:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]O[5]O)(C[6]C[5a,6]CC)(H){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<4>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[5]C[6])	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H)	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2C)(CH3)(H){1|C<3>,1|N<2>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]N[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.8700	0.000	1	106.8700	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]C)(CF3)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6,6]C)	108.1280	0.000	1	108.1280	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.0705	0.378	2	107.0705	0.143	2	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.3170	0.000	1	108.1150	0.082	2	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(CHHN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.9130	0.000	1	108.1150	0.082	2	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.8400	0.000	1	106.8400	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.0260	0.000	1	108.0260	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6]H)(CH3)(H){1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.8270	0.000	1	107.8270	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]2)(CHHO)(H){2|C<4>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]C){2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C)	108.2020	0.000	1	108.2020	0.000	1	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	107.9430	0.000	1	106.2430	5.780	2	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6,6]-4:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(CHHN)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C)	104.5430	0.000	1	106.2430	5.780	2	107.3958	1.115	12	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[5]C[5]2H)(H){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5]C[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,6|H<1>}	H(C[6]C[6,6a]C[5]C[6])	106.8980	0.163	2	106.8980	0.026	2	106.8980	0.026	2	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	3:4:4:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:N[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2H)(H){2|C<3>,3|C<4>,7|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]N[5]H)(C[6a]C[6a]H){1|C<3>,3|C<4>,7|H<1>}	H(C[6]C[6,6a]C[6]N[5])	108.2750	0.000	1	108.2750	0.000	1	108.2750	0.000	1	107.4003	0.663	46	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:2:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(N[6a]C[6a,6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.7186	0.069	5	108.7186	0.005	5	108.7736	0.009	8	108.7736	0.009	8	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:2:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.8440	0.021	2	108.8653	0.002	3	108.7736	0.009	8	108.7736	0.009	8	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:2:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])(C[6]C[6,6]HH){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9080	0.000	1	108.8653	0.002	3	108.7736	0.009	8	108.7736	0.009	8	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[3,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH)	H(C[6]C[6,6a]C[3,6]H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6a]C[6,6a]2)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]C[6])(C[6]C[3,6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[3,6]H)	108.5152	0.087	4	108.5152	0.008	4	108.5152	0.008	4	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	108.5802	0.271	6	108.5802	0.073	6	108.1636	0.218	18	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	108.0755	0.550	6	108.0755	0.302	6	108.1636	0.218	18	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH)	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(Br)(H){1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]BrH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]Br)	107.8352	0.131	6	107.8352	0.017	6	108.1636	0.218	18	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6a]C[6,6a]2)(H)2{2|C<3>,2|O<2>,5|C<4>}	C[6,6a](C[6,6a]C[6,6a]O[6])(C[6,6a]C[6a]O[6])(C[6]C[6,6]HH){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]H)	109.5743	0.072	9	109.5743	0.005	9	109.5743	0.005	9	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]O[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6,6]H)	110.1250	0.000	1	110.1250	0.000	1	108.6138	0.292	16	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,2|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.1383	0.029	3	108.1383	0.001	3	108.6138	0.292	16	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.5397	0.068	7	108.5397	0.005	7	108.6138	0.292	16	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]S[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,2|C<3>,2|N<2>}	C[6,6a](C[6,6a]C[6,6]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6,6]HH){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	108.2847	0.083	3	108.2847	0.007	3	108.6138	0.292	16	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6a]C[5,6a]H)(C[6]C[6,6]HH){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.3245	0.016	2	109.3245	0.000	2	108.6138	0.292	16	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	C[6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH)	H(C[6]C[6,6a]C[6]H)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<6>,1|H<1>,2|C<3>,4|B<6>}	C[6,6a](C[6,6a]C[5x3,5x5,21x6]C[6a])(C[6a]C[6a]H)(C[6]C[6]HH){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	H(C[6]C[6,6a]C[6]H)	108.6930	0.000	1	108.6930	0.000	1	108.6930	0.000	1	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	110.7030	1.136	2	110.6118	0.999	6	110.6118	0.999	6	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:3:4:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6a]C[5,6a]H)(C[6]N[5,6]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	110.5662	1.108	4	110.6118	0.999	6	110.6118	0.999	6	108.8400	0.874	54	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:2:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]N[6a])(H)2{1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(N[6a]C[6a]){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.5050	0.020	2	109.5050	0.000	2	109.5050	0.000	2	109.1644	0.334	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[6,6a]-3:Br-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a])	H(C[6]C[6,6a]C[6,6]Br)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]N[6a])(Br)(H){1|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]BrH)(N[6a]C[6a,6a]){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]Br)	108.5475	0.190	2	108.5475	0.036	2	108.5475	0.036	2	109.1644	0.334	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:2:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a])	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]N[6a])(H)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(N[6a]C[6a]){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6,6]H)	109.7170	0.000	1	109.7170	0.000	1	109.7170	0.000	1	109.1644	0.334	5	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[3x6]H)	109.3512	0.022	4	109.3512	0.000	4	109.2033	0.107	10	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]HH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[3x6]H)	108.8740	0.127	4	108.8740	0.016	4	109.2033	0.107	10	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[3x6]HH)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6a]C[3x6]H)	109.5660	0.359	2	109.5660	0.129	2	109.2033	0.107	10	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[4,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[4,6]H)	C[6](C[4,6]C[4,5,6]C[4]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[4,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[4,6]H)	108.4795	0.030	4	108.4795	0.001	4	108.4795	0.001	4	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[4x6]H)	106.9505	0.655	2	106.9505	0.430	2	107.7413	2.091	3	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[4x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[4x6]H)	C[6](C[4x6]C[3x6]C[6,6]O[6,6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[4x6]HH)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	H(C[6]C[6,6a]C[4x6]H)	109.3230	0.000	1	109.3230	0.000	1	107.7413	2.091	3	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,3x6]C[6,6a]H)	110.2448	2.720	11	110.2448	7.396	11	110.7511	6.166	15	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,3x6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H)	H(C[6]C[5,3x6]C[6,6a]H)	C[6](C[5,3x6]C[5,6,6a]C[5,3x6]C[5,6,6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,7|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,3x6]HH)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,3x6]C[6,6a]H)	112.1432	0.772	4	112.1432	0.596	4	110.7511	6.166	15	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]HH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6,6a]H)	109.0430	0.016	2	109.0430	0.000	2	109.1175	0.007	4	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O)	H(C[6]C[5,6,6]C[6,6a]H)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6,6]HH)(C[6a]C[6a]O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[5,6,6]C[6,6a]H)	109.1920	0.006	2	109.1920	0.000	2	109.1175	0.007	4	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.7080	0.021	2	109.8263	0.012	9	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.8601	0.099	7	109.8263	0.012	9	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.1180	0.041	2	109.1180	0.002	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.3465	0.013	2	109.3473	0.000	3	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.3490	0.000	1	109.3473	0.000	3	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HH)(C[6a]O[6a]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[5,6]H)	109.5180	0.038	2	109.5180	0.001	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6,6a]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.9665	0.015	2	109.9665	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	108.5725	0.016	2	108.5725	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.2565	0.011	2	109.2405	0.002	4	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|N<2>,1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.2245	0.073	2	109.2405	0.002	4	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]N){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.2620	0.021	2	109.2620	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.7890	0.000	1	109.4780	0.073	3	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[5]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.3225	0.035	2	109.4780	0.073	3	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.3945	0.013	2	109.5383	0.013	6	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]H)	109.6102	0.024	4	109.5383	0.013	6	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.4910	0.011	2	109.4910	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]C[5,6a]N[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.7255	0.005	2	109.7255	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]N[5,5,6]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.9970	0.068	2	109.9970	0.005	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]H)	C[6](C[5,6]N[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]H)	109.6595	0.005	2	109.6595	0.000	2	109.5285	0.114	43	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.9870	0.099	4	108.9870	0.010	4	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Si<4>,1|H<1>,2|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.7160	0.000	1	108.7160	0.000	1	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	110.1225	0.030	2	110.3431	0.690	8	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	110.7560	1.051	4	110.3431	0.690	8	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.7380	0.064	2	110.3431	0.690	8	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6,6a]N[6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|O<2>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]O){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]H)	109.5097	0.056	4	109.5097	0.003	4	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<4>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	108.5780	0.000	1	108.5780	0.000	1	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.8400	0.000	1	109.8400	0.000	1	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1065	0.259	4	109.1065	0.067	4	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.4197	0.081	4	109.4197	0.007	4	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]Cl){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0290	0.021	2	109.0290	0.000	2	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.9967	1.434	6	109.4335	1.093	29	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	110.0108	1.640	6	109.4335	1.093	29	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0305	0.119	10	109.4335	1.093	29	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0317	0.128	7	109.4335	1.093	29	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6]O)(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|N<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.0865	0.021	2	109.0865	0.000	2	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]C[6,6a]O[6,6]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6,6]H)	109.3440	0.023	2	109.3440	0.001	2	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]H)	C[6](C[6,6]O[6,6]C[3]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[6,6]H)	109.1845	0.052	2	109.1845	0.003	2	109.4505	0.725	64	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	C[6](N[5,5,6]Ga[4x5,6,6]C[5]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<3>,2|C<4>,2|O<2>,3|N<4>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,5,6]C[6,6a]H)	108.3533	0.337	3	108.3533	0.114	3	108.7246	0.366	5	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H)	H(C[6]N[5,5,6]C[6,6a]H)	C[6](N[5,5,6]In[5,6,6]C[5,5]C[5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|N<4>,2|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	H(C[6]N[5,5,6]C[6,6a]H)	109.2815	0.450	2	109.2815	0.203	2	108.7246	0.366	5	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	H(C[6]N[5,6,6]C[6,6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6,6]C[6,6a]H)	108.0980	0.377	7	108.1315	0.132	11	108.1315	0.132	11	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H)	H(C[6]N[5,6,6]C[6,6a]H)	C[6](N[5,6,6]Nb[3,5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|O<2>,5|C<3>,5|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	H(C[6]N[5,6,6]C[6,6a]H)	108.1900	0.387	4	108.1315	0.132	11	108.1315	0.132	11	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]C[5,6,6]C[5]O)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.3460	0.014	2	109.3460	0.000	2	109.0809	0.092	18	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]Ga[3x5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,1|N<3>,2|C<3>,2|N<4>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Ga<6>,1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[6,6a]N[5,6]H)	109.1449	0.364	7	109.1449	0.133	7	109.0809	0.092	18	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]In[5,6,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{1|Cl<1>,1|C<4>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.8915	0.216	4	108.8915	0.047	4	109.0809	0.092	18	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]In[5,6]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|N<4>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|In<5>,1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6,6a]N[5,6]H)	109.1615	0.030	4	109.1615	0.001	4	109.0809	0.092	18	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[5,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[5,6]H)	C[6](N[5,6]Nb[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(H)2{2|Cl<1>,1|C<4>,1|N<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]N[5,6]HH)(C[6a]C[6a]H){1|Nb<7>,1|C<3>,4|C<4>}	H(C[6]C[6,6a]N[5,6]H)	108.5380	0.000	1	108.5380	0.000	1	109.0809	0.092	18	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]N[6,6]H)	109.6555	0.040	2	109.5135	0.013	6	109.5135	0.013	6	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]N[6,6]H)	C[6](N[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)2{1|N<3>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]N[6,6]HH)(C[6a]C[6a]H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]N[6,6]H)	109.4425	0.035	4	109.5135	0.013	6	109.5135	0.013	6	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	3:4:3:	4:	Si[6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H)	H(C[6]C[6,6a]Si[6]H)	C[6](Si[6]C[5,6,6]C[6a]2)(C[6,6a]C[6,6a]C[6a])(H)2{2|C<4>,2|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6]Si[6]HH)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]Si[6]H)	109.8830	0.030	2	109.8830	0.001	2	109.8830	0.001	2	109.3775	1.137	185	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	4:3:3:	4:	C[3,4,4x6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3,4,4x6]C[6,6a]H)	C[6](C[3,4,4x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C[3,4,4x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|B<5>,2|C<3>,3|B<6>,3|H<1>}	C[6,6a](C[6]C[3,4,4x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|B<6>,1|C<3>,1|C<4>,4|H<1>}	H(C[6]C[3,4,4x6]C[6,6a]H)	106.8957	3.553	8	106.8957	12.623	8	106.8957	12.623	8	107.9195	7.076	16	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	4:3:3:	4:	C[3,5,5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3,5,5,6,6]C[6,6a]H)	C[6](C[3,5,5,6,6]C[3,5,5,6]C[3x5,6,6]C[3,5,5])(C[6,6a]C[6,6a]C[6a])(H)2{1|Sn<4>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6a](C[6]C[3,5,5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3,5,5,6,6]C[6,6a]H)	109.2362	0.298	4	109.2362	0.089	4	109.2362	0.089	4	107.9195	7.076	16	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	4:3:3:	4:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[4x5]C[5,6])(C[6,6a]C[6,6a]C[6a])(H)2{2|H<1>,2|O<2>,3|C<3>,4|C<4>}	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x5,6,6]C[6,6a]H)	108.7735	0.013	2	108.7735	0.000	2	108.6502	0.020	4	107.9195	7.076	16	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:1:1:	4:3:3:	4:	C[3x5,6,6]-4:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3x5,6,6]C[6,6a]H)	C[6](C[3x5,6,6]C[3,5,5,6,6]C[5,6,6a]C[4x5])(C[6,6a]C[6,6a]C[6a])(H)2{1|H<1>,2|O<2>,4|C<3>,4|C<4>}	C[6,6a](C[6]C[3x5,6,6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3x5,6,6]C[6,6a]H)	108.5270	0.006	2	108.5270	0.000	2	108.6502	0.020	4	107.9195	7.076	16	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[3,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3,6]O)	C[6](C[3,6]C[3,6,6]C[6a]O[3])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,1|N<3>,5|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[3,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[3,6]O)	107.2357	0.195	3	107.2357	0.038	3	107.2357	0.038	3	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OC)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[3x6]O)	109.5330	0.000	1	109.5330	0.000	1	108.0779	1.165	7	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,3x6]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,3|H<1>,4|C<4>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[3x6]O)	107.4980	0.000	1	107.4980	0.000	1	108.0779	1.165	7	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[3x6]O)	108.1840	0.966	4	107.9028	1.096	5	108.0779	1.165	7	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[3x6]O)	C[6](C[3x6]C[5,4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[3x6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[3x6]O)	106.7780	0.000	1	107.9028	1.096	5	108.0779	1.165	7	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[4x6]-4:C[6,6a]-3:O-2:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H)	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[4x6]O)	C[6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[6,6a]C[5,6,6a]C[6a])(OH)(H){1|O<1>,2|C<3>,2|O<2>,3|C<4>,3|H<1>}	C[6,6a](C[5,6,6a]C[5,6a]C[5,6])(C[6]C[4x6]HO)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6a]C[4x6]O)	106.5010	0.000	1	106.5010	0.000	1	106.5010	0.000	1	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H)	H(C[6]C[5,6,6]C[6,6a]O)	C[6](C[5,6,6]C[5,6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){4|C<3>,4|C<4>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6,6]HO)(C[6a]C[6a,6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6,6]C[6,6a]O)	107.6945	0.226	2	107.6945	0.051	2	107.6945	0.051	2	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]O)	107.1030	0.074	2	108.2346	1.560	5	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	109.5080	0.000	1	108.2346	1.560	5	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){2|N<3>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]N[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.7295	1.249	2	108.2346	1.560	5	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	108.5210	0.000	1	108.5210	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,2|N<3>,6|C<3>}	C[6,6a](C[6,6a]N[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]O)	108.8170	0.000	1	108.8170	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|O<2>,3|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	106.2000	0.000	1	106.2000	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]O)	108.8090	0.000	1	108.8090	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]O)	107.9800	0.075	3	107.9800	0.006	3	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[5,6]O)	107.3490	0.157	2	107.3490	0.025	2	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(OSi)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6,6a]C[5,6]O)	107.9350	0.000	1	107.9350	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,6a]N[5,6]O)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]O)	107.9480	0.000	1	107.9480	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6,6a]C[6,6a]C[6a])(OSi)(H){2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[5,6]O)	109.1080	0.000	1	109.1080	0.000	1	108.0676	0.837	17	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:O-2:H-1:	N[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H)	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6,6a]N[6,6a]C[6a])(OH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6a](N[6,6a]C[5,6]C[6a])(C[6]C[5,6]HO)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	H(C[6]C[6,6a]C[5,6]O)	102.9610	0.000	1	102.9610	0.000	1	102.9610	0.000	1	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(OC)(H){1|N<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6,6]HO)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]O)	110.4810	0.000	1	110.4810	0.000	1	109.3000	2.790	2	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:O-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]O)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(OH)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HO)(C[6a]C[6a]H){2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6,6a]C[6,6]O)	108.1190	0.000	1	108.1190	0.000	1	109.3000	2.790	2	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:S-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]S)	C[6](C[6,6]C[6,6]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]HS)(C[6a]C[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6a]C[6,6]S)	106.1390	0.000	1	106.1390	0.000	1	106.1390	0.000	1	107.7939	1.769	34	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:2:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:O-2:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H)	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[5,5,6,6]C[6,6a]O)	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(OC[6a])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6a](C[6]C[5,5,6,6]HO)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,5,6,6]C[6,6a]O)	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	107.4130	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(CCH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	108.0830	0.000	1	108.0830	0.000	1	107.6085	0.541	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]C[5,6]C)	108.0170	0.000	1	107.2680	1.122	2	107.6085	0.541	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(COO)(H){2|H<1>,2|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C)	106.5190	0.000	1	107.2680	1.122	2	107.6085	0.541	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	107.8150	0.000	1	107.8150	0.000	1	107.6085	0.541	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|Cl<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.9360	0.000	1	107.6070	0.108	3	107.5135	0.107	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4425	0.231	2	107.6070	0.108	3	107.5135	0.107	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.2330	0.000	1	107.2330	0.000	1	107.5135	0.107	4	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]N)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(NHS)(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]HN)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]N)	107.3060	0.000	1	107.3060	0.000	1	107.3060	0.000	1	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.4190	0.000	1	108.4190	0.000	1	107.8522	0.598	6	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.1520	0.000	1	107.5187	1.091	3	107.8522	0.598	6	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6,6a]C[6,6]C)	108.6970	0.000	1	107.5187	1.091	3	107.8522	0.598	6	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){2|C<4>,2|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.7070	0.000	1	107.5187	1.091	3	107.8522	0.598	6	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]O[6,6]H)(C[6,6a]C[6,6a]C[6a])(CC[6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	108.0690	0.245	2	108.0690	0.060	2	107.8522	0.598	6	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]C[6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6540	0.075	2	106.6540	0.006	2	106.6540	0.006	2	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]N)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(NCH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]C[6,6]HN)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]N)	106.0145	0.547	2	106.0145	0.299	2	106.0145	0.299	2	107.3813	0.647	19	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[5,5,6,6]C[6,6a]C[6a])	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[5,5,6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,5,6,6]C[6,6a]C[6a])	108.8860	0.000	1	108.8860	0.000	1	108.8860	0.000	1	108.0530	1.388	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6,6a](C[6]C[6,6]C[6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.2200	0.000	1	107.2200	0.000	1	107.2200	0.000	1	108.0530	1.388	2	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:3:4:	4:	C[5,6]-4:C[6,6a]-3:S-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS)	H(C[6]C[6,6a]C[5,6]S)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a,6a]H)(C[6]C[5,6]HS){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]S)	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.3720	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]C[6,6]2N[6,6])(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]B[3x6]C)	105.4447	0.914	6	105.4447	0.836	6	105.6757	1.070	7	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	B[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H)	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]B[3x6]C)	C[6](B[3x6]N[6,6a]C[6,6]2)(C[6,6a]C[6,6a]C[6a])(CCCH)(H){3|H<1>,4|C<3>,4|C<4>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]B[3x6]CH)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6a]B[3x6]C)	107.0620	0.000	1	107.0620	0.000	1	105.6757	1.070	7	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[3x6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[3x6]C)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[3x6]C[6a])(C[6]C[3x6]CH)(C[6a]C[6a]O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6a]C[3x6]C)	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H)	H(C[6]C[5,6,6]C[6,6a]C)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6,6]CH)(C[6a]C[6a]H){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6,6a]C)	106.7030	0.000	1	106.7030	0.000	1	106.7030	0.000	1	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,1|N<3>,2|O<2>,4|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	H(C[6]C[6,6a]C[5,6]C)	108.3360	0.000	1	108.3360	0.000	1	107.6993	0.309	3	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	107.4540	0.000	1	107.4540	0.000	1	107.6993	0.309	3	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H)	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(CCHH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]O[6])(C[6]C[5,6]CH)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C)	107.3080	0.000	1	107.3080	0.000	1	107.6993	0.309	3	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6]C[6a]C[6])(C[6,6a]C[6,6a]C[6a])(CBrHH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	106.0790	0.000	1	106.0790	0.000	1	106.9940	1.674	2	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	4:3:4:1:	3:4:3:	4:	C[6,6]-4:C[6,6a]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H)	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C)	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)(H){1|H<1>,2|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5,6a]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6,6]C)	107.9090	0.000	1	107.9090	0.000	1	106.9940	1.674	2	106.5193	1.529	14	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	5:3:1:1:	4:3:3:	4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,2|C<3>,4|B<6>,4|H<1>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	108.9513	0.491	6	108.9513	0.241	6	109.0599	0.284	7	109.0599	0.284	7	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	5:3:1:1:	4:3:3:	4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|B<5>,1|C<4>,1|O<2>,2|C<3>,3|H<1>,4|B<6>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,4|H<1>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	109.7110	0.000	1	109.7110	0.000	1	109.0599	0.284	7	109.0599	0.284	7	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	5:3:3:1:	4:3:3:	4:	C[3,3,5,4x6]-5:C[6,6a]-3:C[6,6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3,3,5,4x6]C[6,6a]2)	C[6](C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6]Fe)(C[6,6a]C[6,6a]C[6a])2(H){1|C<4>,4|B<6>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[3,3,5,4x6]C[6,6a]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Fe<11>,1|C<6>,2|B<6>,3|C<3>,4|H<1>}	H(C[6]C[3,3,5,4x6]C[6,6a]2)	107.1390	0.381	4	107.1390	0.145	4	107.1390	0.145	4	107.1390	0.145	4	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	6:3:1:1:	4:3:3:	4:	C[3x3,3x5,13x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	C[6](C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]Rh)(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,4|H<1>,5|B<6>}	C[6,6a](C[6]C[3x3,3x5,13x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|Rh<10>,1|C<3>,1|C<6>,3|B<6>,4|H<1>}	H(C[6]C[3x3,3x5,13x6]C[6,6a]H)	108.2868	0.129	4	108.2868	0.017	4	108.2868	0.017	4	108.3632	0.011	11	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	6:3:1:1:	4:3:3:	4:	C[5x3,5x5,21x6]-6:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6,6a]C[6,6a]C[6a])(H)2{1|C<4>,2|C<3>,5|B<6>,5|H<1>}	C[6,6a](C[6]C[5x3,5x5,21x6]HH)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|C<6>,4|B<6>,4|H<1>}	H(C[6]C[5x3,5x5,21x6]C[6,6a]H)	108.4069	0.066	7	108.4069	0.004	7	108.4069	0.004	7	108.3632	0.011	11	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	H	6:3:3:1:	4:3:3:	4:	C[5x3,5x5,20x6]-6:C[6,6a]-3:C[6,6a]-3:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H)	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	H(C[6]C[5x3,5x5,20x6]C[6,6a]2)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6,6a]C[6,6a]C[6a])2(H){1|N<3>,4|C<3>,5|B<6>,7|H<1>}	C[6,6a](C[6]C[5x3,5x5,20x6]C[6,6a]H)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|C<6>,3|C<3>,3|H<1>,4|B<6>}	H(C[6]C[5x3,5x5,20x6]C[6,6a]2)	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	107.3680	0.000	1	108.8804	1.453	9834	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]2)	110.5415	0.148	2	110.5415	0.022	2	110.0720	0.316	4	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a,6a]C[6a])(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]2)	109.6025	0.213	2	109.6025	0.045	2	110.0720	0.316	4	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	110.3918	1.013	12	109.8442	1.862	20	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.4754	0.779	7	109.8442	1.862	20	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5,6])(O[6]C[6])(H){2|C<3>,3|H<1>,4|C<4>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6a]O[6]2)	105.8560	0.000	1	109.8442	1.862	20	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(O[6]C[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6320	0.000	1	109.6320	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.4764	0.910	5	109.4887	1.063	70	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.4966	1.062	63	109.4887	1.063	70	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.2680	0.095	2	109.4887	1.063	70	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H)	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]C[6])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]O)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.3200	0.000	1	109.3200	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(O[6]O[6])(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6a]O[6]2)	110.8310	0.000	1	110.8310	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.2700	0.000	1	109.5305	0.045	4	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6])2(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6173	0.147	3	109.5305	0.045	4	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.2037	0.102	3	109.2037	0.010	3	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])(O[6]O[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[6a]O[6]2)	113.9180	0.000	1	113.9180	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]O[6]2H){1|N<2>,2|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6a]O[6]2)	111.0555	1.324	2	111.0555	1.754	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]O)(C[6]O[6]2H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.5710	0.000	1	109.5710	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|H<1>,5|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]C)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.6290	0.000	1	109.6290	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6a]C[6,6a]O)(C[6a]C[6a]H)(C[6]O[6]2H){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.8100	0.298	2	109.8100	0.089	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]O[6]2H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.5390	0.000	1	109.5390	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>}	H(C[6]C[6a]O[6]2)	109.5990	0.352	2	109.4870	0.058	4	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.3640	0.000	1	109.4870	0.058	4	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.3860	0.000	1	109.4870	0.058	4	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<2>,1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.4070	0.000	1	109.4070	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,1|N<2>,2|O<2>,3|C<4>}	H(C[6]C[6a]O[6]2)	110.0615	0.052	2	110.0615	0.003	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6a]O[6]2)	109.5085	0.100	2	109.5085	0.010	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	110.0087	0.289	3	110.0087	0.084	3	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]F)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.5510	0.000	1	109.5510	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.2010	0.000	1	109.5350	0.223	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.8690	0.000	1	109.5350	0.223	2	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.6600	0.000	1	109.6600	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<3>,1|C<4>,1|N<2>,6|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]O[6]2H){1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.3520	0.000	1	109.3520	0.000	1	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.8842	1.050	11	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6a]O[6]2)	109.1005	0.446	2	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.9390	0.000	1	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	109.1174	0.548	8	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6a]O[6]2)	108.7910	0.000	1	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H)	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]2)(O[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]O[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]2)	108.6920	0.000	1	109.4703	0.772	24	109.6137	1.065	149	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a,6a]C[6a])(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(C[6]S[6]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]S[6]2)	107.8140	0.000	1	107.8140	0.000	1	107.8140	0.000	1	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(S[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[6a]S[6]2)	108.4340	0.000	1	108.4340	0.000	1	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6]C[6a]S[6]2)	108.1845	0.144	2	108.1845	0.021	2	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	108.1670	0.000	1	108.1670	0.000	1	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]F)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]F)2(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	110.6570	0.000	1	110.6570	0.000	1	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	109.3490	0.000	1	108.7094	0.152	7	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	108.6028	0.295	6	108.7094	0.152	7	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	108.4860	0.000	1	108.4860	0.000	1	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[6a]S[6]2)	107.8930	0.000	1	108.7222	0.830	5	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[6a]S[6]2)	108.7290	0.000	1	108.7222	0.830	5	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|H<1>,3|C<4>}	H(C[6]C[6a]S[6]2)	108.0040	0.000	1	108.7222	0.830	5	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:3:4:	4:	C[6a]-3:S[6]-2:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6])2(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6])2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	109.4925	0.965	2	108.7222	0.830	5	108.7050	0.531	18	109.5188	1.082	172	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	3:4:2:	4:	C[6a]-3:O[6]-2:O[6]-2:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H)	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a])	H(C[6]C[6a]O[6]2)	C[6](C[6a]C[6a]N[6a])(O[6]C[6])2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]O[6]2H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[6a]O[6]2)	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	108.9470	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	4:3:2:	4:	C[6a]-3:O[6]-2:S[6]-2:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H)	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]O[6]S[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6])(S[6]C[6])(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]O[6]S[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]S[6])	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	111.6630	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	4:3:3:	4:	C[6a]-3:N[6]-2:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6])(O[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.7125	0.164	2	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:2:1:	4:3:3:	4:	C[6a]-3:Se[6]-2:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H)	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2	H(C[6]C[6a]Se[6]2)	C[6](C[6a]C[6a]2)(Se[6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]Se[6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]Se[6]2)	108.9990	0.000	1	108.9990	0.000	1	108.9990	0.000	1	108.7125	0.164	2	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	3:3:4:	4:	C[6a]-3:N[6]-2:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	106.9760	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6,6a]-3:O[6]-2:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[4,6,6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4535	0.122	2	108.4535	0.015	2	108.4535	0.015	2	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:N[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6300	0.000	1	107.6300	0.000	1	107.6300	0.000	1	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8920	0.000	1	108.8920	0.000	1	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.1430	0.639	2	108.1430	0.409	2	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.1250	0.000	1	107.2539	0.151	12	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7805	0.350	2	107.2539	0.151	12	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.4051	0.353	7	107.2539	0.151	12	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9700	0.000	1	107.2539	0.151	12	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5550	0.000	1	107.2539	0.151	12	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.0680	0.000	1	107.1655	2.409	2	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2630	0.000	1	107.1655	2.409	2	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.8140	0.000	1	107.8140	0.000	1	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.9245	0.032	2	107.9245	0.001	2	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]C)(H){2|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.1190	0.000	1	107.1190	0.000	1	107.4923	0.440	21	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	107.2665	0.325	2	107.2665	0.105	2	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	109.2710	0.000	1	109.2710	0.000	1	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	109.6850	0.000	1	109.6850	0.000	1	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|Cl<1>,1|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]Cl)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	107.3260	0.000	1	107.3260	0.000	1	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	109.1780	0.000	1	109.1780	0.000	1	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	108.8830	0.431	2	108.8005	0.072	4	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	108.6730	0.000	1	108.8005	0.072	4	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	108.7630	0.000	1	108.8005	0.072	4	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:O[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]N)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	107.9870	0.000	1	107.9870	0.000	1	108.4711	0.782	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.1840	0.000	1	106.1840	0.000	1	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	106.3000	0.000	1	106.3000	0.000	1	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	108.5060	0.000	1	107.1592	0.606	5	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.7550	0.000	1	107.1592	0.606	5	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	106.8450	0.273	3	107.1592	0.606	5	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|Br<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.8225	0.337	2	106.8225	0.114	2	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.8100	0.000	1	106.8870	0.012	2	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]S[6])	106.9640	0.000	1	106.8870	0.012	2	106.8817	0.377	11	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]C)(H){1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]S[6])	106.0810	0.000	1	106.0810	0.000	1	109.1395	18.709	2	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:3:1:	4:3:3:	4:	C[6a]-3:S[6]-2:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]S[6])	112.1980	0.000	1	112.1980	0.000	1	109.1395	18.709	2	107.6882	1.260	48	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	3:4:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CC)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.0040	0.028	2	107.0040	0.001	2	107.0040	0.001	2	107.0040	0.001	2	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:2:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8405	0.114	2	108.8405	0.013	2	108.3507	0.726	3	108.3507	0.726	3	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:2:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]N[6a])(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3710	0.000	1	107.3710	0.000	1	108.3507	0.726	3	108.3507	0.726	3	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	97.0892	0.000	1	97.0892	0.000	1	104.6644	43.681	3	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6500	0.000	1	107.6500	0.000	1	104.6644	43.681	3	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:N[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2540	0.000	1	109.2540	0.000	1	104.6644	43.681	3	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[5a,6])(C[6]C[6]HO)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3340	0.000	1	109.3340	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.9220	0.000	1	107.9220	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]CH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.5930	0.000	1	109.5930	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3540	0.000	1	108.3540	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0110	0.000	1	108.2790	0.144	2	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5470	0.000	1	108.2790	0.144	2	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	107.6097	0.588	3	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5610	0.000	1	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2800	0.000	1	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5930	0.291	2	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9990	0.000	1	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0583	1.218	15	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7630	0.000	1	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8895	0.286	2	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1888	0.988	5	108.6844	1.090	31	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	107.5260	0.000	1	107.5260	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3957	1.552	3	107.8018	2.009	5	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	107.4470	0.000	1	107.8018	2.009	5	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.3750	0.000	1	107.8018	2.009	5	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6a]C[6]O[6])	109.1120	0.393	5	108.6043	0.583	13	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7467	0.450	3	108.6043	0.583	13	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8410	1.142	3	108.6043	0.583	13	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HO)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]O[6])	108.2665	0.196	2	108.6043	0.583	13	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.4200	0.000	1	107.4200	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.3870	0.000	1	107.3870	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.3590	0.000	1	107.3590	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	107.5360	0.253	2	107.5360	0.064	2	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]CH)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3310	0.000	1	108.3310	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]N[6]HH)(H){1|F<1>,1|H<1>,1|S<4>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2780	0.000	1	109.2780	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:O[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3320	0.000	1	109.3320	0.000	1	108.4929	0.980	64	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	108.4690	0.184	2	108.4690	0.034	2	108.4020	0.890	8	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.5860	0.000	1	108.5860	0.000	1	108.4020	0.890	8	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	108.3840	0.000	1	108.3384	1.533	5	108.4020	0.890	8	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	107.9610	0.783	2	108.3384	1.533	5	108.4020	0.890	8	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:2:4:1:	4:3:3:	4:	C[6a]-3:S[6]-2:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]HN)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	108.6930	2.232	2	108.3384	1.533	5	108.4020	0.890	8	108.3301	2.668	75	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	106.7640	0.000	1	107.4599	0.142	8	107.4599	0.142	8	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.4823	0.194	6	107.4599	0.142	8	107.4599	0.142	8	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)(N[6]C[6])(H){1|N<3>,1|S<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	108.0210	0.000	1	107.4599	0.142	8	107.4599	0.142	8	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:S[6]-3:S[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H)	H(C[6]C[6a]S[6]2)	C[6](C[6a]C[6a]2)(S[6]C[6]O)(S[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]S[6]2H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	H(C[6]C[6a]S[6]2)	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)(C[6]N[6]2H){1|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.7730	0.000	1	108.7730	0.000	1	107.6150	0.566	6	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	108.0110	0.000	1	108.0110	0.000	1	107.6150	0.566	6	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.8480	0.000	1	107.1877	0.356	3	107.6150	0.566	6	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	106.8575	0.241	2	107.1877	0.356	3	107.6150	0.566	6	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.3430	0.000	1	107.3430	0.000	1	107.6150	0.566	6	107.9974	3.607	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	106.2160	0.000	1	106.2160	0.000	1	107.4963	0.791	4	107.7920	1.031	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]O[6]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.9230	0.307	3	107.9230	0.094	3	107.4963	0.791	4	107.7920	1.031	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	3:4:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.9750	0.000	1	108.9750	0.000	1	108.9750	0.000	1	107.7920	1.031	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	108.0940	0.000	1	108.0940	0.000	1	108.0940	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,5a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.9940	0.757	3	108.9940	0.572	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.3767	0.264	3	108.3767	0.070	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	109.0860	0.000	1	108.6753	0.849	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	109.3200	0.000	1	108.6753	0.849	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	107.6200	0.000	1	108.6753	0.849	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	107.7900	0.000	1	107.7900	0.000	1	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]O[6])	108.4580	0.000	1	108.4580	0.000	1	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	106.7320	0.000	2	107.4173	1.409	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]O[6])	108.7880	0.000	1	107.4173	1.409	3	108.3313	0.792	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]S[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]S[6])	105.0700	0.000	1	105.0700	0.000	1	105.0700	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]2)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	106.9080	0.000	1	106.9080	0.000	1	107.2733	1.386	3	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	106.3220	0.000	1	106.3220	0.000	1	107.2733	1.386	3	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.5900	0.000	1	108.5900	0.000	1	107.2733	1.386	3	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.0300	0.000	1	109.0300	0.000	1	108.9700	0.007	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6])(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]N[6a]Cl)(C[6a]C[6a]N){1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.9100	0.000	1	108.9100	0.000	1	108.9700	0.007	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.1670	0.000	1	108.1670	0.000	1	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	106.8340	0.000	1	107.7023	1.235	3	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|P<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.3180	0.000	1	107.7023	1.235	3	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.9550	0.000	1	107.7023	1.235	3	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.5550	0.000	1	107.5550	0.000	1	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.9230	0.000	1	107.9230	0.000	1	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.4430	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.1830	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.3955	0.397	4	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	105.9870	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.4960	0.089	2	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	109.1405	0.517	2	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.2140	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.3720	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(O[6]C[6])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	108.9430	0.000	1	108.2141	0.764	14	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Br<1>,1|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.3640	0.000	1	107.3640	0.000	1	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[6a]O[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6]C[6,6a]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]O[6])	107.7700	0.000	1	107.7700	0.000	1	108.0401	0.665	22	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]S[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]S[6])	105.8370	0.431	2	105.8370	0.186	2	105.8370	0.186	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6,6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.7440	0.283	2	106.7440	0.080	2	107.6880	2.713	3	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.5760	0.000	1	109.5760	0.000	1	107.6880	2.713	3	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[5]S[6])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]S[6])	104.2680	0.000	1	104.2680	0.000	1	104.2680	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8080	0.000	1	108.8080	0.000	1	107.8052	0.488	6	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9600	0.000	1	108.0705	0.024	2	107.8052	0.488	6	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])(H){1|N<2>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1810	0.000	1	108.0705	0.024	2	107.8052	0.488	6	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2940	0.492	3	107.2940	0.242	3	107.8052	0.488	6	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.6950	3.821	3	109.7840	5.885	6	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	109.8780	0.419	2	109.7840	5.885	6	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.8630	0.000	1	109.7840	5.885	6	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4200	0.308	2	107.8957	0.872	3	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.8470	0.000	1	107.8957	0.872	3	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.6480	0.000	1	108.3030	5.478	2	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]N[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.9580	0.000	1	108.3030	5.478	2	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]O[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.9440	0.000	1	109.9440	0.000	1	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]N[6])(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8350	0.000	1	108.8350	0.000	1	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	110.2210	0.000	1	110.2210	0.000	1	109.1426	3.622	14	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]S[6])	107.1520	0.000	1	107.1520	0.000	1	109.5800	11.790	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:C[6]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(S[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]S[6])	112.0080	0.000	1	112.0080	0.000	1	109.5800	11.790	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]N[6]O[6])	107.2423	0.245	3	107.2423	0.060	3	107.4337	2.093	10	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]B[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	107.1580	0.000	1	107.1580	0.000	1	107.4337	2.093	10	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	H(C[6]C[6a]N[6]O[6])	106.1800	0.000	1	106.3430	0.062	4	107.4337	2.093	10	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(H){3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]N[6]O[6])	106.3973	0.275	3	106.3430	0.062	4	107.4337	2.093	10	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](C[6a]C[6a]2)(N[6]O[6]C)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]O[6])	110.0400	0.058	2	110.0400	0.003	2	107.4337	2.093	10	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	C[6a]-3:N[6]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](C[6a]C[6a]2)(N[6]C[6]S)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]S[6])	105.1520	0.000	1	105.1520	0.000	1	105.1520	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]O[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6]N[5,6]C[6a]O[6])	107.9250	0.000	1	107.9250	0.000	1	107.9250	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]S[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6a]S[6])	109.4960	0.000	1	109.4960	0.000	1	109.4960	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6])(H){1|Br<1>,1|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.2060	0.190	2	108.2060	0.036	2	108.2060	0.036	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]N[5a,6]C[6a]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,7|C<3>}	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]O[6])	107.3460	0.000	1	107.3460	0.000	1	107.4980	0.046	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]O[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]O[6])	107.6500	0.000	1	107.6500	0.000	1	107.4980	0.046	2	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6])(H){1|N<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	109.3870	0.000	1	109.3870	0.000	1	109.0952	1.405	4	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|F<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]F)2{1|H<1>,2|F<1>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	109.5020	0.000	1	109.5020	0.000	1	109.0952	1.405	4	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	110.1100	0.000	1	110.1100	0.000	1	109.0952	1.405	4	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]O[6])	107.3820	0.000	1	107.3820	0.000	1	109.0952	1.405	4	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	106.7140	0.000	1	106.7140	0.000	1	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	105.8390	0.000	1	106.2567	0.107	7	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	106.7120	0.000	1	106.2567	0.107	7	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	106.2492	0.254	5	106.2567	0.107	7	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]N[6]S[6])	108.4370	0.000	1	107.4295	1.872	4	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]S[6])	107.0937	1.460	3	107.4295	1.872	4	106.6857	0.887	12	107.9248	2.159	106	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.0940	0.000	1	108.0940	0.000	1	108.3970	0.083	3	108.3970	0.083	3	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]S)(H){3|H<1>,4|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.4280	0.000	1	108.4280	0.000	1	108.3970	0.083	3	108.3970	0.083	3	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	2:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]N[6]2)	108.6690	0.000	1	108.6690	0.000	1	108.3970	0.083	3	108.3970	0.083	3	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a,6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6,6]C[6]H){2|H<1>,9|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2310	0.000	1	106.2310	0.000	1	106.2310	0.000	1	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9700	0.000	1	107.9700	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5210	0.000	1	107.5210	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	104.2520	0.000	1	104.2520	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.2540	0.000	1	107.5535	1.005	4	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.5740	0.000	1	107.5535	1.005	4	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3420	0.000	1	107.5535	1.005	4	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.0440	0.000	1	107.5535	1.005	4	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7020	0.000	1	107.7020	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|N<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9310	0.000	1	106.9310	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,2|C<3>,3|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.8240	0.000	1	106.8240	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6630	0.000	1	107.6630	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(C[6]C[6]2H){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4380	0.000	1	108.4380	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Re<6>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.7880	0.000	1	108.7880	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]P[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9247	0.172	3	107.9247	0.029	3	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7130	0.000	1	107.8820	0.023	3	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9665	0.053	2	107.8820	0.023	3	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.3230	0.000	1	108.3230	0.000	1	107.6023	0.986	20	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	108.1313	0.320	6	108.1004	0.092	7	108.1004	0.092	7	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.9150	0.000	1	108.1004	0.092	7	108.1004	0.092	7	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1690	0.000	1	108.1690	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.4520	0.000	1	108.4520	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8843	0.371	3	107.8386	0.073	5	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7700	0.000	2	107.8386	0.073	5	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.1670	0.000	1	109.1670	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	109.0260	0.000	1	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7040	0.000	1	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2465	0.132	2	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6750	0.000	1	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.4375	0.875	2	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9075	0.223	2	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.5770	0.000	1	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7750	0.303	2	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.6530	0.262	2	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2090	0.000	1	107.8820	0.293	15	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.2840	0.000	1	107.7593	0.128	7	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.6718	0.299	6	107.7593	0.128	7	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	109.2990	0.000	1	109.2990	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1010	0.000	1	108.2410	0.039	2	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.3810	0.000	1	108.2410	0.039	2	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.7460	0.000	1	108.3652	0.335	14	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.4879	0.298	9	108.3652	0.335	14	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9940	0.968	4	108.3652	0.335	14	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|Cl<1>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]Cl)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2260	0.000	1	107.2260	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.7265	0.248	18	108.7265	0.061	18	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.1165	0.562	4	107.4820	0.905	5	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.9440	0.000	1	107.4820	0.905	5	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(C[6]C[6]2H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]2)	93.7312	0.000	1	93.7312	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(C[6]C[6]2H){1|H<1>,2|C<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.9580	0.000	1	108.9580	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5610	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0350	0.201	2	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7308	0.289	5	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7370	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0440	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1480	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8830	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.8143	0.440	3	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9649	0.322	17	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3778	0.793	5	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]2)	108.1810	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.1370	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0895	0.291	16	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	108.4250	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8934	1.286	7	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2530	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.7150	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.9872	0.300	6	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.2700	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.2080	0.000	1	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0630	0.466	4	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2(H){2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0275	0.460	4	107.9382	0.270	81	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	109.5230	0.000	1	109.5230	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.3430	0.000	1	108.3430	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.2485	0.221	2	109.2485	0.049	2	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.1220	0.000	1	106.1220	0.000	1	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){1|S<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.4680	0.000	1	107.4865	0.001	2	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]N)2(H){2|C<3>,2|H<1>,3|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5050	0.000	1	107.4865	0.001	2	107.9831	1.673	161	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]N[6]H){2|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0160	0.000	1	108.0160	0.000	1	108.0160	0.000	1	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]H)2(H){1|O<2>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]N[6]2H){4|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	109.4320	0.000	1	109.4320	0.000	1	110.3245	1.593	2	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a,6a]C[6a])(N[6]N[6]H)2(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]N[6]2H){2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	111.2170	0.000	1	111.2170	0.000	1	110.3245	1.593	2	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	108.0590	0.174	2	108.0590	0.030	2	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(N[6]C[6]H)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	109.6920	0.000	1	109.6920	0.000	1	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.5385	0.251	4	107.5385	0.063	4	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.5630	0.000	1	109.0058	6.217	4	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.4830	0.000	1	109.0058	6.217	4	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	110.4885	3.139	2	109.0058	6.217	4	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|N<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.6940	0.000	1	107.6940	0.000	1	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]C)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]N[6]2)	109.4100	0.000	1	109.4100	0.000	1	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]N[6]2)	106.1970	0.000	1	106.1970	0.000	1	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	108.6210	0.000	1	108.6210	0.000	1	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.3550	0.000	1	107.4585	0.021	2	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]C[6]S)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.5620	0.000	1	107.4585	0.021	2	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]2)(N[6]N[6]H)2(H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	109.2560	4.411	2	109.2560	19.456	2	108.2809	3.004	19	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5,6,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(C[6]N[6]2H){1|Br<1>,1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.4950	0.000	1	107.4950	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.5800	0.000	1	108.5800	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.7000	0.000	1	108.7400	0.003	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	108.7800	0.000	1	108.7400	0.003	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.7790	0.000	1	107.7790	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,5|C<3>}	H(C[6]C[6a]N[6]2)	108.0800	0.000	1	108.0800	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]N[6]2)	106.6290	0.000	1	106.6290	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	107.5550	0.000	1	107.5550	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	109.1160	0.047	2	108.7773	0.345	3	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]N[6]2H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	108.1000	0.000	1	108.7773	0.345	3	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|Br<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.6070	0.195	2	107.5460	0.030	3	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.4240	0.000	1	107.5460	0.030	3	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.7485	0.056	2	108.5422	0.842	4	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	109.3360	0.045	2	108.5422	0.842	4	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.0810	0.000	1	107.0810	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){2|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.1210	0.000	1	108.1210	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]2)	107.8760	0.000	1	108.0450	0.057	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(C[6]N[6]2H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]2)	108.2140	0.000	1	108.0450	0.057	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|H<1>,1|O<2>,3|C<3>,3|O<1>}	C[6a](C[6a]C[6a,6a]O)(C[6a]O[6a]H)(C[6]N[6]2H){1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	108.9405	0.346	2	108.9405	0.120	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.7890	0.000	1	107.7890	0.000	1	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]N[6]2)	109.9470	0.000	2	109.9470	0.000	2	108.2812	0.731	27	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.3230	0.000	1	108.3230	0.000	1	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[5a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.6660	0.000	1	107.6660	0.000	1	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]2)	107.7605	0.870	2	107.7605	0.758	2	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	109.8840	0.000	1	110.0985	0.067	4	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6,6a]H)2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){3|C<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	110.1700	0.266	3	110.0985	0.067	4	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Pd<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.0040	0.035	2	107.9547	0.008	3	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){3|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.8560	0.000	1	107.9547	0.008	3	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.2910	0.000	1	107.2910	0.000	1	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6a]N[6]2)	108.0210	0.000	1	107.9033	0.024	13	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:3:4:	4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H)	H(C[6]C[6a]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(H){4|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]2)	107.8935	0.158	12	107.9033	0.024	13	108.2321	0.771	25	108.0443	1.534	263	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6a]C[6]2)	103.9930	0.000	1	103.9930	0.000	1	103.9930	0.000	1	107.5637	6.663	6	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(N[6]C[6]N)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]N[6]2)	107.7400	0.000	1	107.7400	0.000	1	108.2778	4.504	5	107.5637	6.663	6	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]C)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]N[6]2)	107.3893	1.597	3	107.3893	2.549	3	108.2778	4.504	5	107.5637	6.663	6	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H)	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a])	H(C[6]C[6a]N[6]2)	C[6](C[6a]C[6a]N[6a])(N[6]N[6]H)2(H){1|H<1>,2|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2H)(N[6a]C[6a]){1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6a]N[6]2)	111.4810	0.000	1	111.4810	0.000	1	108.2778	4.504	5	107.5637	6.663	6	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6a]C[5,6a]H)(C[6]C[6,6]2H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.9203	0.206	3	107.9203	0.043	3	108.0957	0.060	6	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6,6]2H)(C[6a]N[6a]O){1|H<1>,6|C<3>}	H(C[6]C[6,6]2C[6a])	108.2025	0.018	2	108.2025	0.000	2	108.0957	0.060	6	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|C<3>,1|H<1>,2|O<2>,3|O<1>,4|C<4>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6]2H)(C[6a]O[6a]H){6|C<3>}	H(C[6]C[6,6]2C[6a])	108.4080	0.000	1	108.4080	0.000	1	108.0957	0.060	6	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	H(C[6]C[6,6a]2C[6a])	106.4170	0.000	1	107.4267	4.731	3	107.4267	4.731	3	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){1|Si<4>,1|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	109.9230	0.000	1	107.4267	4.731	3	107.4267	4.731	3	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a,6a]C[6a])(H){1|O<2>,3|H<1>,7|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]2C[6a])	105.9400	0.000	1	107.4267	4.731	3	107.4267	4.731	3	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,2|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6,6a]2H)(C[6a]O[6a]O){6|C<3>}	H(C[6]C[6,6a]2C[6a])	107.4330	0.000	1	107.4330	0.000	1	108.2810	1.438	2	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C[5])(C[6]C[6,6a]2H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.1290	0.000	1	109.1290	0.000	1	108.2810	1.438	2	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6a]C[6a]H){2|H<1>,7|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3860	0.000	1	108.3860	0.000	1	108.3860	0.000	1	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[5a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[5a,6a]C[6a])(N[6]S[6]H)(H){1|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6]C[6,6a]N[6]H)(C[6a]C[6a]O){1|N<3>,1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.4200	0.000	1	107.4200	0.000	1	107.4200	0.000	1	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6,6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]C[6]H)(C[6a]C[6a]H){1|C<2>,2|H<1>,6|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.4255	0.523	2	108.4255	0.273	2	108.4255	0.273	2	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|N<2>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9160	0.000	1	107.9160	0.000	1	107.9160	0.000	1	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2330	0.000	1	108.2330	0.000	1	108.4715	0.114	2	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7100	0.000	1	108.7100	0.000	1	108.4715	0.114	2	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	3:4:3:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6510	0.000	1	107.6510	0.000	1	107.6510	0.000	1	108.0307	0.788	19	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:2:2:	4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6a]-2:N[6a]-2:	C[6]-4:	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H)	C[6a](C[6]N[6]2H)(N[6a]C[6a])2	H(C[6]C[6a]N[6]2)	C[6](C[6a]N[6a]2)(N[6]N[6]H)2(H){2|C<4>,3|C<3>}	C[6a](C[6]N[6]2H)(N[6a]C[6a])2{1|C<3>,2|C<4>,2|H<1>,2|N<3>}	H(C[6]C[6a]N[6]2)	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	113.7500	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:2:3:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6a]-2:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(N[6a]C[6a,6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]N[6])	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	108.3590	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.0210	0.197	2	108.4352	0.253	4	108.4352	0.253	4	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]N[6a])(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.8495	0.186	2	108.4352	0.253	4	108.4352	0.253	4	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.4620	0.000	1	107.4620	0.000	1	107.4620	0.000	1	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5360	0.000	1	107.5360	0.000	1	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2330	0.123	2	107.2056	0.143	8	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7730	0.000	1	107.2056	0.143	8	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2793	0.171	3	107.2056	0.143	8	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8790	0.000	1	107.2056	0.143	8	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	106.6890	0.000	1	107.2056	0.143	8	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,2|C<4>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1460	0.000	1	107.1460	0.000	1	107.2327	0.123	10	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,2|N<2>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.1790	0.000	1	108.1790	0.000	1	108.1790	0.000	1	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:2:	4:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]N[6,6]C[6a]N[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){2|H<1>,6|C<3>}	C[6a](C[6]N[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	H(C[6]N[6,6]C[6a]N[6])	110.1920	0.000	1	110.1920	0.000	1	110.1920	0.000	1	107.8342	0.846	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	109.0330	0.000	1	109.0330	0.000	1	108.4916	0.331	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1010	0.000	1	108.3807	0.386	6	108.4916	0.331	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.1703	0.778	3	108.3807	0.386	6	108.4916	0.331	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.8360	0.308	2	108.3807	0.386	6	108.4916	0.331	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]S[5])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,3|O<1>,4|C<4>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,1|S<4>,4|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	108.6160	0.000	1	108.6160	0.000	1	108.4916	0.331	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5870	0.000	1	108.5870	0.000	1	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.6230	0.000	1	108.6230	0.000	1	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.7170	0.000	1	108.7170	0.000	1	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.4810	0.000	1	108.5235	0.004	2	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5660	0.000	1	108.5235	0.004	2	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	109.0220	0.000	1	109.0220	0.000	1	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.8480	0.000	1	108.9745	0.032	2	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,1|S<4>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	109.1010	0.000	1	108.9745	0.032	2	108.7431	0.051	8	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.1300	0.000	1	108.1300	0.000	1	107.8517	0.397	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(N[6]O[6]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.2950	0.000	1	108.2950	0.000	1	107.8517	0.397	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.1300	0.000	1	107.1300	0.000	1	107.8517	0.397	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.8900	0.000	1	107.8900	0.000	1	107.8900	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5a,6]2C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,1|H<1>,1|O<2>,2|C<4>,6|C<3>}	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]2C[6a])	107.6520	0.000	1	107.6520	0.000	1	107.4055	0.122	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]2C[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6a]C[6a]2)(H){1|B<3>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]2H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]2C[6a])	107.1590	0.000	1	107.1590	0.000	1	107.4055	0.122	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6,6]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6,6]C[6a])	108.9890	0.000	1	108.9890	0.000	1	108.4020	0.195	4	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6,6]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5a,6]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6,6]C[6a])	108.2063	0.250	3	108.2063	0.062	3	108.4020	0.195	4	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.1510	0.000	1	108.3690	0.095	2	108.3690	0.095	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6,6a]C[6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,2|N<2>,2|N<3>,3|C<3>}	C[6a](C[6]C[5a,6]C[6,6a]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6,6a]C[6a])	108.5870	0.000	1	108.3690	0.095	2	108.3690	0.095	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5690	0.000	1	108.5690	0.000	1	108.5690	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]O)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5540	0.000	1	108.5540	0.000	1	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2630	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6290	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4840	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|O<2>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5190	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9670	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7378	0.259	4	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3210	0.000	1	108.5134	0.091	10	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.6400	0.000	1	108.6400	0.000	1	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.4620	0.000	1	108.4034	0.157	5	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,1|S<2>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.7300	0.000	1	108.4034	0.157	5	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.2750	0.485	3	108.4034	0.157	5	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8320	0.000	1	107.8320	0.000	1	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.5410	0.000	1	107.5410	0.000	1	108.4062	0.151	19	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(N[6]N[6]C)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.1650	0.000	1	107.1650	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	109.5320	0.000	1	107.7940	1.385	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.0895	0.185	2	107.7940	1.385	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.4650	0.000	1	107.7940	1.385	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	110.0920	0.000	1	110.0920	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	108.3030	0.293	4	108.0588	0.363	5	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.0820	0.000	1	108.0588	0.363	5	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]N[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	108.8850	0.000	1	108.8850	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	108.6210	0.000	1	108.6210	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.5285	0.540	2	107.8555	0.922	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<4>,2|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.1940	0.000	1	107.8555	0.922	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.1710	0.000	1	107.8555	0.922	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.3630	0.000	1	108.3630	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	110.5120	0.000	1	110.5120	0.000	1	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.5950	0.185	2	107.5950	0.034	2	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	106.9320	0.143	3	106.9275	0.014	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	106.9140	0.000	1	106.9275	0.014	4	107.9772	1.097	25	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]N[5,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]N[5,6]C[6a])	109.3120	0.000	1	109.3120	0.000	1	108.9165	0.313	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]N[5,6]C[6a])	C[6](C[5a,6]N[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<3>,2|N<2>,3|C<4>,5|H<1>}	C[6a](C[6]C[5a,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[5,6]C[6a])	108.5210	0.000	1	108.5210	0.000	1	108.9165	0.313	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]N[5a,6]C[6a])	C[6](C[5a,6]C[5a,6,6]C[5a])(N[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]N[5a,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]N[5a,6]C[6a])	108.0060	0.000	1	108.0060	0.000	1	108.0060	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]N[6,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]N[6,6]C[6a])	108.8673	0.055	3	108.8673	0.003	3	108.8673	0.003	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,8|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.4790	0.000	1	108.1720	0.188	2	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|H<1>,9|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.8650	0.000	1	108.1720	0.188	2	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6a]O[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.7430	0.000	1	107.7430	0.000	1	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	107.4940	0.000	1	107.4940	0.000	1	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	109.3180	0.000	1	109.3180	0.000	1	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a,6a]C)(C[6a]C[6a]H){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]N[6])	108.3785	0.622	4	108.3785	0.386	4	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	109.0030	0.000	1	109.0030	0.000	1	108.3416	0.431	10	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.7140	0.000	1	108.7140	0.000	1	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	109.0500	0.000	1	109.3395	0.168	2	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|N<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	109.6290	0.000	1	109.3395	0.168	2	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|Cl<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.3720	0.626	2	108.0280	0.220	6	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.9690	0.317	3	108.0280	0.220	6	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.5170	0.000	1	108.0280	0.220	6	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	107.8310	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.3550	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.7500	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.3210	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.6072	0.512	4	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	107.7370	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	107.7495	0.728	24	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.2780	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.8520	0.378	5	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.4815	0.341	6	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	H(C[6]C[6,6]2C[6a])	108.3950	0.000	1	108.0268	0.497	46	108.0872	0.507	55	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2680	0.169	3	108.0329	0.064	7	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9560	0.000	2	108.0329	0.064	7	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7570	0.000	2	108.0329	0.064	7	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3000	0.000	1	108.3000	0.000	1	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1180	0.000	2	107.1180	0.000	2	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1480	0.000	1	108.1480	0.000	1	107.9013	0.195	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6835	0.291	2	108.6835	0.084	2	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4247	1.047	3	107.2759	0.775	7	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1260	0.000	1	107.2759	0.775	7	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5120	0.000	1	107.2759	0.775	7	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5930	0.000	1	107.2759	0.775	7	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.4260	0.000	1	107.2759	0.775	7	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.0920	0.000	1	108.0722	1.065	4	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|F<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2615	0.357	2	108.0722	1.065	4	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.6740	0.000	1	108.0722	1.065	4	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4000	0.000	1	106.4000	0.000	1	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9340	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6010	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.0179	0.322	12	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3650	0.069	2	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.0700	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1380	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.4890	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.3630	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1630	0.128	5	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8640	0.287	3	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.5720	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.8225	0.657	4	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6820	0.000	1	108.1027	0.158	34	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7350	0.822	2	107.7350	0.675	2	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.1860	0.000	1	107.1860	0.000	1	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.5670	0.211	4	108.5670	0.044	4	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|O<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7960	0.000	1	107.7960	0.000	1	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6180	0.000	1	107.6180	0.000	1	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.6910	0.000	1	108.6910	0.000	1	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1320	0.000	1	107.0395	2.387	2	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.9470	0.000	1	107.0395	2.387	2	107.9598	0.481	60	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|F<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.9305	0.087	2	107.9305	0.008	2	107.8884	0.137	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.7010	0.000	1	108.0700	0.272	2	107.8884	0.137	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	108.4390	0.000	1	108.0700	0.272	2	107.8884	0.137	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4410	0.000	1	107.4410	0.000	1	107.8884	0.137	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Ge<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.1610	0.059	2	107.8606	0.146	5	107.9724	0.143	7	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7715	0.453	2	107.8606	0.146	5	107.9724	0.143	7	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4380	0.000	1	107.8606	0.146	5	107.9724	0.143	7	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.0840	0.000	1	108.2520	0.056	2	107.9724	0.143	7	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.4200	0.000	1	108.2520	0.056	2	107.9724	0.143	7	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.3880	0.000	1	108.3880	0.000	1	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|N<3>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.9680	0.000	1	107.8020	0.055	2	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.6360	0.000	1	107.8020	0.055	2	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2980	0.000	1	108.2980	0.000	1	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5700	0.000	1	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.4110	0.000	1	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.2500	0.000	1	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.9505	0.467	2	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.1032	0.096	5	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.3345	0.993	2	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.7250	0.000	1	108.0802	0.366	13	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5640	0.000	1	107.5640	0.000	1	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.8780	0.000	1	108.7079	0.210	9	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.4710	0.000	1	108.7079	0.210	9	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.7330	0.000	1	108.7079	0.210	9	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.9272	0.316	5	108.7079	0.210	9	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.6530	0.000	1	108.7079	0.210	9	108.2691	0.357	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	90.1654	0.000	1	90.1654	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	105.3570	0.000	1	105.3570	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,1|P<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.6900	0.000	1	107.4298	0.974	6	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.3400	0.000	1	107.4298	0.974	6	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.1372	0.332	4	107.4298	0.974	6	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]C)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.2380	0.000	1	109.2380	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.1505	0.347	4	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	105.6100	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|I<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.1560	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,2|N<2>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.9620	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.0940	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|N<3>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.5328	1.645	4	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	106.6750	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|P<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.2480	0.062	2	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){2|H<1>,2|O<1>,3|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.0040	0.000	1	107.1081	1.413	16	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,2|C<3>,2|O<1>,5|N<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]N[6a]N)(C[6a]N[6a]O){2|C<4>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	107.3020	0.000	1	107.3020	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.6610	0.000	1	108.6610	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	108.2390	0.000	1	108.2390	0.000	1	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]2C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])2(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]2H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]2C[6a])	109.0197	1.243	3	109.0197	1.545	3	106.9139	11.265	31	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9950	0.000	1	108.1765	0.066	2	108.1765	0.066	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3580	0.000	1	108.1765	0.066	2	108.1765	0.066	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,1|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9030	0.000	1	107.9030	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.1510	0.000	1	106.1510	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5720	0.000	1	108.5720	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2720	0.000	1	107.2720	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|F<1>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.6200	0.000	1	108.6200	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9560	0.000	1	106.9560	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2170	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.6010	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5530	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3353	0.226	6	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2600	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4080	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.7190	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4700	0.406	2	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0700	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3870	0.361	4	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2900	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6310	0.352	8	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7030	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5025	0.021	2	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9290	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8620	0.173	5	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2910	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2060	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4340	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.5670	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4860	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|S<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0460	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8690	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5040	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3640	0.000	1	107.8126	0.309	46	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4590	0.000	1	108.4590	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2438	0.544	12	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8880	0.433	2	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2120	0.000	1	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.4610	0.000	1	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.6580	0.000	1	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1215	0.158	2	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4300	0.000	1	107.5353	0.485	20	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]H){1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9863	0.200	3	107.9863	0.040	3	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4970	0.000	1	107.4970	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	109.2260	0.000	1	108.7025	0.548	2	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1790	0.000	1	108.7025	0.548	2	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.5355	0.179	2	108.5355	0.032	2	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|F<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5200	0.000	1	107.5200	0.000	1	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6981	0.483	7	107.8182	0.174	11	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9500	0.000	1	107.8182	0.174	11	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.0543	0.172	3	107.8182	0.174	11	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3730	0.000	1	107.8140	0.301	4	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.6277	0.493	3	107.8140	0.301	4	107.7807	0.377	97	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]O)(H){1|H<1>,3|C<4>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2445	2.302	2	106.2445	5.298	2	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.4235	0.317	2	108.4235	0.101	2	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2530	0.423	2	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5720	0.000	1	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.1107	0.649	3	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5500	0.000	1	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.2110	0.000	1	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5890	0.549	2	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2340	0.000	1	107.1439	0.755	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|H<1>,2|S<2>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.8680	0.000	1	106.8680	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.5100	0.000	1	107.5100	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|N<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9250	0.000	1	106.9250	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.0460	0.000	1	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	109.9190	0.000	1	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.4342	1.440	5	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7900	0.000	1	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2370	0.000	1	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.9660	0.269	2	107.6450	1.504	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5650	0.000	1	106.6955	0.034	2	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.8260	0.000	1	106.6955	0.034	2	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3710	0.000	1	107.3710	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,1|S<3>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.7330	0.000	1	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.7947	0.367	4	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2880	0.181	2	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2590	0.000	1	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.4790	0.000	1	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7000	1.247	2	107.2387	0.501	11	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[5,6a]O)(C[6a]C[6a]H){1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.5600	0.000	1	106.5600	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	108.1520	0.000	1	108.1520	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9270	0.000	1	107.0577	0.036	3	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.1230	0.216	2	107.0577	0.036	3	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.3250	0.000	1	106.3250	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.0850	0.000	1	107.7717	0.711	9	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.4285	0.699	2	107.7717	0.711	9	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.1970	0.000	1	107.7717	0.711	9	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3020	0.000	1	107.7717	0.711	9	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.6260	1.062	4	107.7717	0.711	9	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6,6]H)(H){1|N<3>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|P<5>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	106.9515	0.595	2	106.9515	0.354	2	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.1230	0.000	1	106.1230	0.000	1	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3102	0.405	5	107.2473	0.155	6	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(N[6]P[6]C)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|P<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.9330	0.000	1	107.2473	0.155	6	107.3040	0.810	67	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3320	0.000	1	107.3320	0.000	1	107.3505	0.001	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	107.3690	0.000	1	107.3690	0.000	1	107.3505	0.001	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.9595	0.030	2	108.2000	0.099	4	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.6200	0.000	1	108.2000	0.099	4	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	108.2610	0.000	1	108.2000	0.099	4	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.9155	0.011	2	107.0760	0.176	7	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.9040	0.000	1	107.0760	0.176	7	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	107.1895	0.145	2	107.0760	0.176	7	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]N[6,6]C[6a])	106.7090	0.038	2	107.0760	0.176	7	107.4847	0.457	11	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.3640	0.000	1	107.4940	0.034	2	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[5a,6]C[6a])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6240	0.000	1	107.4940	0.034	2	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]C[6a])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.7200	0.000	1	108.7200	0.000	1	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2780	0.000	1	107.5010	0.099	2	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.7240	0.000	1	107.5010	0.099	2	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	108.8820	0.000	1	108.8820	0.000	1	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a,6a]O)(C[6a]O[6a]O){1|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	109.1345	0.098	2	109.1345	0.010	2	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.8157	0.468	12	107.7926	0.192	14	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6545	0.183	2	107.7926	0.192	14	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,2|F<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]F)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.7593	0.747	4	106.7593	0.558	4	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	106.6103	0.703	3	106.9466	1.535	10	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|F<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.2810	0.431	2	106.9466	1.535	10	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	107.6025	1.309	4	106.9466	1.535	10	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]N[6])	104.6630	0.000	1	106.9466	1.535	10	107.5406	0.950	36	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[4,6]C[6a])(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4210	0.000	1	107.4210	0.000	1	107.7458	0.387	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8970	0.000	1	106.8970	0.000	1	107.7458	0.387	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0075	0.404	2	108.0075	0.163	2	107.7458	0.387	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3960	0.000	1	108.3960	0.000	1	107.7458	0.387	5	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3950	0.123	2	108.3950	0.015	2	102.3067	111.210	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	90.1301	0.000	1	90.1301	0.000	1	102.3067	111.210	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|Cl<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5870	0.000	1	108.5870	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3730	0.000	1	106.3730	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7415	0.286	2	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5525	0.131	2	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3910	0.000	1	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.0851	0.370	7	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1210	0.000	1	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0630	0.000	1	106.8399	0.725	14	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1420	0.000	1	108.2779	0.523	8	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.6500	0.000	1	108.2779	0.523	8	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1488	1.061	4	108.2779	0.523	8	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.4180	0.143	2	108.2779	0.523	8	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8907	0.597	3	107.8907	0.356	3	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0905	0.260	2	108.0121	0.247	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8255	0.224	2	108.0121	0.247	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2990	0.000	1	108.0121	0.247	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2040	0.000	1	108.0121	0.247	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7500	0.000	1	108.0121	0.247	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6500	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0630	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9670	0.204	2	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1540	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9540	0.095	3	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9627	0.362	23	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9180	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2010	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.5300	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.1030	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8167	0.100	3	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0389	0.662	20	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5007	1.927	3	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7610	0.279	3	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7380	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6110	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8108	0.209	5	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8720	0.000	1	107.9423	0.293	72	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2190	0.000	1	107.2190	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1240	0.000	1	108.1240	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1730	0.000	1	106.9387	0.600	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8997	0.841	6	106.9387	0.600	7	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]N[6]C)(H){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8730	0.000	1	108.8730	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|B<3>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6370	0.000	1	107.6370	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]S){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0470	0.000	1	108.0470	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0140	0.000	1	107.0140	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4250	0.000	1	108.2138	0.099	4	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1433	0.345	3	108.2138	0.099	4	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8160	0.000	1	107.8160	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9800	0.000	1	106.9185	0.008	2	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]O)(N[6]C[6]S)(H){3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8570	0.000	1	106.9185	0.008	2	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3390	0.000	1	108.3390	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]N)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3770	0.000	1	108.3770	0.000	1	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	H(C[6]C[6a]C[6]N[6])	107.6775	0.427	4	107.6826	0.137	5	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7030	0.000	1	107.6826	0.137	5	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	104.6275	0.508	2	106.4273	9.847	3	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]O)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	110.0270	0.000	1	106.4273	9.847	3	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]O)(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1830	0.358	2	108.1830	0.128	2	107.7486	0.697	138	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4970	0.000	1	107.4970	0.000	1	107.4970	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[3,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[3,6]C[6a]C[6])	C[6](N[3,6]C[3,6]C[3])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]N[3,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[3,6]C[6a]C[6])	106.9300	0.000	1	106.9300	0.000	1	106.9300	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6]N[5,6]C[6a])	108.8170	0.000	1	108.8170	0.000	1	109.0435	0.103	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]N[5,6]C[6a])	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]N[5,6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]N[5,6]C[6a])	109.2700	0.000	1	109.2700	0.000	1	109.0435	0.103	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[5,6]C[6a])	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]N[5,6]H)(C[6a]C[6a]H)2{1|Si<5>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]N[5,6]C[6a])	108.3895	2.343	2	108.3895	5.488	2	108.3895	5.488	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.1770	0.000	1	108.1770	0.000	1	108.1770	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.8300	0.000	1	107.8300	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.2170	0.000	1	108.2170	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8380	0.000	1	108.5776	0.146	10	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.3305	0.186	6	108.5776	0.146	10	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.7340	0.000	1	108.5776	0.146	10	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8690	0.000	1	108.5776	0.146	10	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.3520	0.000	1	108.5776	0.146	10	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.6470	0.000	1	107.6470	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.5480	0.000	1	108.5480	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	109.5530	0.000	1	109.5530	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.8890	0.000	1	108.8890	0.000	1	108.5288	0.259	16	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6a]N[6])	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]N[5,6]C[6a]N[6])	107.9007	0.065	3	107.9007	0.004	3	108.2118	1.189	6	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6a]N[6])	110.4130	0.000	1	110.4130	0.000	1	108.2118	1.189	6	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|H<1>,2|C<4>,4|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.5810	0.000	1	107.5780	0.000	2	108.2118	1.189	6	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]N[5,6]C[6a]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[6a](C[6]N[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]N[6])	107.5750	0.000	1	107.5780	0.000	2	108.2118	1.189	6	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[5,6]C[6a])	C[6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]N[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[5,6]C[6a])	107.7960	0.089	2	107.7960	0.008	2	107.7960	0.008	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6,6]C[6a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6,6]C[6a])	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]N[5a,6]C[6a])	C[6](N[5a,6]C[5a,6,6a]C[5a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]N[5a,6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6,6a]N[5a,6]C[6a])	108.2050	0.089	2	108.2050	0.008	2	108.2050	0.008	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.9860	0.475	2	107.9860	0.226	2	107.9860	0.226	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6a]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.8690	0.000	1	108.8690	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>,2|N<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.2410	0.000	1	108.2410	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|F<1>,1|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6380	0.000	1	108.5351	0.132	21	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|H<1>,1|O<2>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.5620	0.000	1	108.5351	0.132	21	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.5283	0.382	19	108.5351	0.132	21	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	109.2240	0.000	1	109.2240	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.7830	0.000	1	108.6908	0.061	5	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.8320	0.318	2	108.6908	0.061	5	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.3940	0.000	1	108.6908	0.061	5	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.6130	0.000	1	108.6908	0.061	5	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	108.9580	0.000	1	108.5605	0.274	4	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	108.4280	0.553	3	108.5605	0.274	4	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	112.1830	0.000	1	112.1830	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	107.6840	0.000	1	107.6840	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	109.3220	0.000	1	109.3220	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.5990	0.000	1	108.5990	0.000	1	108.6772	0.511	37	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.0960	0.000	1	108.0960	0.000	1	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6a]N[6])	108.2850	0.000	1	108.2850	0.000	1	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|N<2>,5|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]Cl){1|H<1>,5|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.6130	0.000	1	108.6130	0.000	1	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|F<1>,1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.3090	0.000	1	108.3090	0.000	1	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.5570	0.000	1	108.5570	0.000	1	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.2955	0.210	2	108.6630	0.427	3	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<2>,1|O<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	109.3980	0.000	1	108.6630	0.427	3	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]N[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]N[6])	108.4360	0.637	4	108.4360	0.406	4	108.4661	0.220	12	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[6,6]C[6a]C[6])	107.1660	0.300	2	107.1660	0.090	2	107.1660	0.090	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6,6a]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6a]C[6a]C[6])	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]N[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]N[6,6a]C[6a]C[6])	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6a]C[6a]N[6])	C[6](N[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]N[6,6a]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6a]N[6])	107.6410	0.000	1	107.6410	0.000	1	107.6410	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.7490	0.000	1	107.7490	0.000	1	107.3715	0.285	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]C)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9940	0.000	1	106.9940	0.000	1	107.3715	0.285	2	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7490	0.000	1	107.7490	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8500	0.000	1	107.8500	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0850	0.000	1	107.2217	0.024	3	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3900	0.000	1	107.2217	0.024	3	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1900	0.000	1	107.2217	0.024	3	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4950	0.062	2	107.4950	0.004	2	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4300	0.000	1	108.4300	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3760	0.000	1	107.3760	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]N)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.3170	0.000	1	108.3170	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.4040	0.000	1	106.9089	0.207	11	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9594	0.446	10	106.9089	0.207	11	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7900	0.000	1	108.7900	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3160	0.000	1	107.3160	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1220	0.000	1	108.1220	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7175	0.243	2	106.7175	0.059	2	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6a]C[6]N[6])	108.5570	0.000	1	108.5570	0.000	1	107.3554	0.456	27	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(S[6]C[6]O)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	H(C[6]C[6a]N[6]S[6])	106.2900	0.279	3	106.2900	0.078	3	106.2900	0.078	3	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:3:1:	4:3:3:	4:	N[6]-3:S[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]S[6])	C[6](N[6]C[6a]C[6])(S[6]C[6,6a]O)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]N[6]S[6]H)(C[6a]C[6a]H)2{1|O<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]N[6]S[6])	106.8320	0.000	1	106.8320	0.000	1	106.8320	0.000	1	107.8333	1.543	770	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|C<2>}	H(C[6]C[6a]C[6]2)	107.1010	0.000	1	107.1010	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.3340	0.000	1	107.9373	0.303	3	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.2390	0.243	2	107.9373	0.303	3	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7200	0.000	1	107.7200	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.3860	0.397	4	107.3860	0.158	4	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.0030	1.099	2	108.0030	1.207	2	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3670	0.000	1	107.3670	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.3850	0.000	1	106.3850	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2650	0.000	1	108.2650	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4633	0.747	3	106.4633	0.557	3	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9740	0.000	1	106.9740	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1090	0.000	1	107.1090	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.0500	0.000	1	108.0500	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.9720	0.000	1	107.7400	0.108	2	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5080	0.000	1	107.7400	0.108	2	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0690	0.000	1	107.0690	0.000	1	107.4031	0.488	23	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:3:4:	4:	C[6a]-3:C[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]O)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2575	0.254	2	106.2575	0.064	2	106.2575	0.064	2	107.3115	0.551	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:2:	4:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a])	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6a]C[5a,6a]N[6a])(N[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6]N[6,6]C[6]H)(N[6a]C[6a]){1|C<4>,4|H<1>,5|C<3>}	H(C[6]N[6,6]C[6a]C[6])	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	108.0880	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5a,6]C[6]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	107.5316	0.897	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:C[5,6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]C[6]H)(C[6a]C[6a]H){2|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8630	0.000	1	107.8630	0.000	1	107.8630	0.000	1	107.5316	0.897	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]C)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|C<4>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6610	0.000	1	106.6610	0.000	1	106.6610	0.000	1	107.5316	0.897	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5870	0.000	1	106.5870	0.000	1	107.7315	2.620	2	107.5316	0.897	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	3:4:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]N[6a]Cl){3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8760	0.000	1	108.8760	0.000	1	107.7315	2.620	2	107.5316	0.897	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:2:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]S)(C[6]C[6]HH)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.8990	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8790	0.000	1	107.9202	0.149	6	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8430	0.761	2	107.9202	0.149	6	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2450	0.000	1	107.9202	0.149	6	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8555	0.202	2	107.9202	0.149	6	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.5290	0.000	1	108.5290	0.000	1	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.2815	0.844	2	108.2815	0.712	2	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.0480	0.000	1	108.2270	0.024	3	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.3030	0.000	1	108.2270	0.024	3	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.3300	0.000	1	108.2270	0.024	3	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]CH)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.0950	0.000	1	108.0950	0.000	1	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8940	0.000	1	106.8940	0.000	1	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.9055	0.366	2	107.9055	0.134	2	108.0059	0.235	16	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<2>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.7220	0.000	1	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3680	0.000	1	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8415	0.449	2	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.8650	0.000	1	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9315	0.586	2	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.1305	0.371	2	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0680	0.000	1	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.0280	0.000	1	107.9871	0.101	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.1258	0.279	4	107.3720	2.899	5	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	104.3570	0.000	1	107.3720	2.899	5	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.9940	0.000	1	108.9255	0.009	2	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.8570	0.000	1	108.9255	0.009	2	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3010	0.000	1	108.3010	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.6490	0.000	1	107.6490	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.1200	0.000	1	108.1200	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|Br<1>,1|S<2>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	106.9640	0.000	1	106.9640	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.1470	0.000	1	108.0167	0.015	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.9515	0.074	2	108.0167	0.015	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.1920	0.000	1	107.9610	0.077	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.8455	0.271	2	107.9610	0.077	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.3570	0.000	1	107.3570	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.2630	0.000	1	107.2630	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.3220	0.000	1	108.3220	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.1090	0.000	1	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.5390	0.000	1	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.0300	0.133	3	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.9990	0.000	1	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.4245	0.276	2	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.0110	0.000	1	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.7505	0.043	2	108.1907	0.229	11	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.2510	0.000	1	107.9613	0.455	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.0390	0.000	1	107.9613	0.455	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.5940	0.000	1	107.9613	0.455	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.2190	0.000	1	107.6046	1.168	5	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.6650	1.351	3	107.6046	1.168	5	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	106.8090	0.000	1	107.6046	1.168	5	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.3650	0.000	1	107.3650	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]CC)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.0710	0.000	1	107.0710	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.2660	0.000	1	108.2660	0.000	1	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.2140	0.000	1	107.9877	0.529	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.5750	0.000	1	107.9877	0.529	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|N<2>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.1740	0.000	1	107.9877	0.529	3	107.9134	0.543	56	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]CH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.8780	0.000	1	107.8780	0.000	1	108.0093	0.131	3	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	108.4190	0.000	1	108.4190	0.000	1	108.0093	0.131	3	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[5a,6]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]N[6])	107.7310	0.000	1	107.7310	0.000	1	108.0093	0.131	3	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.6490	0.000	1	107.6490	0.000	1	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.6930	0.000	1	107.6930	0.000	1	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9860	0.000	1	108.2930	0.227	5	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.7265	0.421	2	108.2930	0.227	5	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.2420	0.000	1	108.2930	0.227	5	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7840	0.000	1	108.2930	0.227	5	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.7350	0.000	1	107.7350	0.000	1	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.5150	0.648	2	106.5150	0.420	2	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.0020	0.000	1	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4260	0.000	1	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.6080	0.000	1	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2785	0.189	2	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2130	0.000	1	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2610	0.211	2	107.2910	1.001	8	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|H<1>,2|C<3>,2|C<4>,2|O<1>,2|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.3090	0.000	1	106.3090	0.000	1	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.9400	0.000	1	107.7165	0.349	4	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.6420	0.700	3	107.7165	0.349	4	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.8320	0.000	1	107.8320	0.000	1	107.5378	0.722	24	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9720	0.095	2	106.9720	0.009	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0570	0.000	1	107.0570	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	107.1690	0.000	1	107.0177	0.035	3	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0770	0.000	1	107.0177	0.035	3	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8070	0.000	1	107.0177	0.035	3	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|P<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	109.1660	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7322	0.523	4	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7770	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	105.9840	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7880	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.1450	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9350	0.192	2	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7455	0.702	2	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1460	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9050	1.240	3	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2860	0.000	1	107.5165	0.791	18	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4037	0.527	3	106.5312	0.361	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2200	0.000	1	106.5312	0.361	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.5360	0.000	1	106.5312	0.361	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]CN)(H){3|H<1>,3|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.2200	0.000	1	106.5312	0.361	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|F<1>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9020	0.000	1	106.9020	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,4|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6,6a]O)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.7500	0.000	1	106.7500	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9675	0.238	2	106.9675	0.057	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0800	0.000	1	107.0800	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	105.6340	0.000	1	105.6340	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6320	0.000	1	106.8734	0.143	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7523	0.230	3	106.8734	0.143	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4780	0.000	1	106.8734	0.143	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.7780	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5633	1.269	3	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.5090	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1310	0.346	3	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4430	2.138	2	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	107.2020	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	109.5710	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.3580	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5990	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1620	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3735	0.327	2	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5480	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3258	0.448	6	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8590	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	109.2097	2.580	3	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.2960	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7594	0.334	5	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.8460	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3230	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.8510	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.7480	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.8000	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.1917	0.298	4	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.2530	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6218	0.499	5	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1680	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3730	0.448	2	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.2190	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.5800	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4425	0.211	2	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.4060	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0270	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.9820	0.000	1	107.4693	0.962	59	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8970	0.000	1	106.8810	0.001	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]O)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8650	0.000	1	106.8810	0.001	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,1|O<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.1710	0.000	1	108.0017	0.022	3	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|Cl<1>,1|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.9170	0.028	2	108.0017	0.022	3	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|F<1>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.7840	0.000	1	105.7840	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.7460	0.000	1	107.8273	0.078	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3610	0.000	1	107.8273	0.078	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9642	0.173	4	107.8273	0.078	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8970	0.000	1	107.8970	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.3790	0.120	5	107.6336	0.166	10	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.2550	0.151	2	107.6336	0.166	10	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6437	0.397	3	107.6336	0.166	10	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0883	0.298	3	106.9938	0.110	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.4390	0.000	1	106.9938	0.110	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]CH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1295	0.040	2	106.9938	0.110	6	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0940	0.016	2	107.0666	0.271	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.6805	0.520	2	107.0666	0.271	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.7840	0.000	1	107.0666	0.271	5	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2170	0.000	1	108.2170	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.0100	0.424	2	107.9592	0.199	4	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4570	0.000	1	107.9592	0.199	4	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.3600	0.000	1	107.9592	0.199	4	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[6a]C[6])	107.4730	0.000	1	107.4730	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4930	0.000	1	107.5675	0.011	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6420	0.000	1	107.5675	0.011	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]S[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6595	0.460	4	107.6595	0.211	4	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]O[6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5730	0.000	1	107.5730	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|H<1>,1|N<3>,1|O<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a,6a]H)(C[6a]N[6a]O){2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.3920	0.000	1	107.3920	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9160	0.000	1	107.5020	0.343	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0880	0.000	1	107.5020	0.343	2	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.6360	0.000	1	106.6360	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|P<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.8890	0.000	1	107.8890	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.4724	0.473	7	106.7717	0.542	9	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.8190	0.417	2	106.7717	0.542	9	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.8230	0.000	1	106.8230	0.000	1	107.3426	0.665	162	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	110.3440	0.154	2	109.5063	2.117	3	109.5063	2.117	3	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6,6a]-3:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]N[6])	107.8310	0.000	1	109.5063	2.117	3	109.5063	2.117	3	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]C)(C[6]C[6]CH)(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7730	0.000	1	107.7730	0.000	1	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[5,6]H)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8950	0.000	1	106.8950	0.000	1	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	105.1070	0.000	1	105.1070	0.000	1	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6925	0.138	2	107.6925	0.019	2	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]H)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2710	0.000	1	108.2710	0.000	1	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(N[6]C[6,6]O)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9720	0.000	1	108.9720	0.000	1	107.4861	1.503	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[4,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[4,6]C[6a]C[6])	C[6](N[4,6]C[4,6]C[4])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]N[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[4,6]C[6a]C[6])	109.4537	0.837	4	109.4537	0.700	4	109.4537	0.700	4	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.8765	0.353	2	108.8765	0.125	2	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.0340	0.000	1	108.0340	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]N[5,6]C[6a]C[6])	107.3380	0.000	1	107.3380	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.0010	0.000	1	107.0010	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.4200	0.593	2	108.5047	0.197	3	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.6740	0.000	1	108.5047	0.197	3	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|C<3>,2|O<1>,3|C<4>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.2433	0.073	3	109.2433	0.005	3	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.1410	0.000	1	108.8183	0.091	3	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.6570	0.161	2	108.8183	0.091	3	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	110.3610	0.000	1	110.3610	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.8810	0.000	1	108.8810	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.1460	0.000	1	107.1460	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.0486	0.442	5	107.0486	0.195	5	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.2620	0.000	1	109.2620	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	110.0530	0.000	1	109.6130	0.175	5	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.5840	0.000	1	109.6130	0.175	5	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.2420	0.349	2	109.6130	0.175	5	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.9440	0.000	1	109.6130	0.175	5	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	109.0130	0.000	1	109.0130	0.000	1	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	108.1100	0.093	2	108.1100	0.009	2	108.5166	1.052	31	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	108.3020	0.000	1	108.3020	0.000	1	108.1190	0.621	6	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	108.6790	0.000	1	108.6790	0.000	1	108.1190	0.621	6	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	109.0670	0.000	1	109.0670	0.000	1	108.1190	0.621	6	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	108.3100	0.000	1	108.3100	0.000	1	108.1190	0.621	6	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|F<1>,1|N<2>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	107.1780	0.223	2	107.1780	0.050	2	108.1190	0.621	6	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6a]C[6])	107.1920	0.000	1	107.1920	0.000	1	107.9026	2.425	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.4500	0.000	1	109.4500	0.000	1	107.9026	2.425	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,4|H<1>,5|C<4>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]N[6,6]C[6a]C[6])	109.5865	0.182	2	109.5865	0.033	2	107.9026	2.425	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	106.5010	0.159	3	106.5010	0.025	3	107.9026	2.425	7	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]HO)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2900	0.000	1	106.2900	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2500	0.261	3	107.2500	0.068	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	111.3350	0.000	1	111.3350	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2820	0.000	1	108.2170	0.545	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6380	0.673	2	108.2170	0.545	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3100	0.000	1	108.2170	0.545	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6950	0.000	1	109.0153	0.599	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|I<1>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.8980	0.000	1	109.0153	0.599	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4530	0.000	1	109.0153	0.599	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3120	0.219	3	107.3120	0.048	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8400	0.000	1	107.3330	0.184	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.6200	0.000	1	107.3330	0.184	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5390	0.000	1	107.3330	0.184	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CN)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4300	0.000	1	107.4300	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3520	0.000	1	108.3520	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.4965	0.054	2	107.1040	0.763	6	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9540	0.000	1	107.1040	0.763	6	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0240	0.000	1	107.1040	0.763	6	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8265	1.162	2	107.1040	0.763	6	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]O[6]HO)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3585	0.200	2	107.3585	0.040	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]S[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.3020	0.000	1	106.3020	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3440	0.000	1	108.6875	1.047	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.6770	0.000	1	108.6875	1.047	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2990	0.000	1	108.6875	1.047	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4300	0.000	1	108.6875	1.047	4	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]FF)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|F<1>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8350	0.000	1	107.8350	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Br<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3660	0.113	2	109.3660	0.013	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0980	0.000	1	107.0980	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7910	0.000	1	108.5000	1.005	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2090	0.000	1	108.5000	1.005	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5910	0.000	1	108.5910	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2230	0.069	3	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3672	0.402	4	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6960	0.000	1	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7050	0.146	3	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8830	0.000	1	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4740	0.000	1	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7265	0.400	2	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2310	0.115	4	108.6675	0.415	19	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8610	0.000	1	107.7405	1.547	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6200	0.000	1	107.7405	1.547	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]HS)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7480	0.000	1	107.7480	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8025	0.006	2	108.0206	0.543	5	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4993	0.258	3	108.0206	0.543	5	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6920	0.000	1	106.6920	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]S[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2680	0.000	1	109.2680	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<2>,2|C<3>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5810	0.000	1	107.5810	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3150	0.000	1	105.7985	0.534	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]CF)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.2820	0.000	1	105.7985	0.534	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2290	0.000	1	107.2290	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4710	0.000	1	107.4710	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6600	0.000	1	106.6600	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	105.5550	0.320	4	107.3979	4.422	9	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9050	0.979	2	107.3979	4.422	9	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.4760	0.000	1	107.3979	4.422	9	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	110.5375	0.537	2	107.3979	4.422	9	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6025	0.263	4	107.2321	0.318	16	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9500	0.000	1	107.2321	0.318	16	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4916	0.492	10	107.2321	0.318	16	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4380	0.000	1	107.2321	0.318	16	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.8640	0.000	1	108.3470	0.535	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.8300	0.000	1	108.3470	0.535	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2610	0.000	1	106.8060	1.560	5	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.3143	1.461	3	106.8060	1.560	5	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8260	0.000	1	106.8060	1.560	5	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8850	0.000	1	108.3310	0.614	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7770	0.000	1	108.3310	0.614	2	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7100	0.000	1	106.7100	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8745	0.264	2	107.2813	0.531	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0950	0.000	1	107.2813	0.531	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2860	0.000	1	109.2860	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8600	0.000	1	105.8600	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7147	0.100	3	105.7147	0.010	3	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:3:4:1:	4:3:3:	4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5190	0.000	1	107.5190	0.000	1	107.7245	1.449	119	107.6979	1.060	438	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]CC)(C[6]C[6])(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2850	0.000	1	106.2850	0.000	1	106.2850	0.000	1	106.2535	0.002	2	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:3:4:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6a,6a]-3:C[6a,6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])2(C[6]C[6]N[6]H){4|H<1>,7|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2220	0.000	1	106.2220	0.000	1	106.2220	0.000	1	106.2535	0.002	2	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]2N)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.1610	0.000	1	107.1610	0.000	1	107.3580	0.078	2	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]N)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.5550	0.000	1	107.5550	0.000	1	107.3580	0.078	2	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[5,6]-4:S[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]S[6])	C[6](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[5]H)(S[6]C[6])(H){1|S<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]S[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]S[6])	106.8175	0.168	2	106.8175	0.028	2	106.8175	0.028	2	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.5760	0.000	1	108.5760	0.000	1	108.5760	0.000	1	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6]HH)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9820	0.000	1	108.9820	0.000	1	107.9608	0.650	4	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6a]C[6]H)(O[6]C[6,6a])(H){1|H<1>,1|O<2>,8|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]O[6]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]O[6])	107.6203	0.528	3	107.6203	0.279	3	107.9608	0.650	4	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	110.2140	0.000	1	110.2140	0.000	1	109.7400	0.449	2	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	3:4:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2660	0.000	1	109.2660	0.000	1	109.7400	0.449	2	108.0227	1.251	11	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6])(H){1|N<3>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	108.2960	0.000	1	108.2960	0.000	1	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7850	0.000	1	107.2930	0.813	3	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|N<3>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7600	0.000	1	107.2930	0.813	3	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[5,6])(H){1|S<2>,2|C<3>,2|N<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3340	0.000	1	107.2930	0.813	3	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(N[6]C[5,6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0860	0.000	1	107.0860	0.000	1	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[5,6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5860	0.853	2	107.5860	0.727	2	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0910	0.000	1	107.7635	0.472	6	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8070	0.000	1	107.7635	0.472	6	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5020	0.178	2	107.7635	0.472	6	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6])(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3395	0.264	2	107.7635	0.472	6	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2940	0.115	2	108.1780	0.047	3	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9460	0.000	1	108.1780	0.047	3	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(N[6]C[6])(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4000	0.000	1	107.4000	0.000	1	107.7028	0.429	17	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	106.9590	0.000	1	107.7555	1.269	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.5520	0.000	1	107.7555	1.269	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|Cl<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.9070	0.000	1	109.7625	1.464	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){2|Cl<1>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	110.6180	0.000	1	109.7625	1.464	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.0985	0.339	2	108.1477	0.047	12	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|H<1>,1|N<3>,1|P<4>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.3480	0.000	1	108.1477	0.047	12	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.1189	0.236	7	108.1477	0.047	12	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|N<3>,1|O<2>,1|S<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.1320	0.000	1	108.1477	0.047	12	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(O[6]P[6])(H){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|P<4>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.2630	0.000	1	108.1477	0.047	12	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.7320	0.000	1	107.8430	0.025	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6,6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.9540	0.000	1	107.8430	0.025	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2830	0.000	1	108.2830	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	107.1790	0.000	1	107.1790	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1190	0.000	1	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4835	0.166	2	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0455	0.226	4	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6532	0.284	4	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9903	0.226	3	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2520	0.000	1	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8000	0.133	2	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4140	0.348	2	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2470	0.000	1	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	110.1920	0.000	2	108.9165	0.288	22	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)(C[6a]N[6a]O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	109.1180	0.101	4	109.1180	0.010	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]Ge[6])(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Ge<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.7500	0.000	1	107.7500	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(O[6]N[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9295	0.122	2	108.9295	0.015	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(O[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	108.4950	0.000	1	108.4950	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[3x6])(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3695	0.408	2	109.3695	0.166	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9390	1.283	2	109.0750	0.588	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0590	0.000	1	109.0750	0.588	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3630	0.000	1	109.0750	0.588	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5295	0.049	2	108.3328	0.210	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|Cr<9>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6590	0.246	2	108.3328	0.210	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0850	0.000	1	108.3328	0.210	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6,6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	107.5350	0.000	1	108.3328	0.210	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0880	0.000	1	108.0880	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.5860	0.000	1	109.5860	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6010	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5690	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6670	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9010	0.120	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5435	0.019	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6607	0.822	3	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1930	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1305	0.086	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5600	0.720	3	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7785	0.322	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8960	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2420	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8165	0.005	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1930	0.096	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6785	0.428	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9470	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5730	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5787	0.445	3	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4580	0.163	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5130	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4460	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8120	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9400	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0360	0.000	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7415	0.452	2	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7860	0.000	1	108.7175	0.145	42	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4852	0.626	6	109.3267	0.557	9	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6,6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0097	1.011	3	109.3267	0.557	9	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.8103	0.159	3	109.6362	0.301	5	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	110.0550	0.000	1	109.6362	0.301	5	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]N[6])(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6950	0.000	1	109.6362	0.301	5	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2843	0.725	6	108.4287	0.584	7	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|P<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2950	0.000	1	108.4287	0.584	7	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HI)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0210	0.000	1	108.0210	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,1|F<1>,1|N<4>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.8520	0.000	1	109.8520	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	116.3360	0.000	1	108.8552	13.508	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.1250	0.291	2	108.8552	13.508	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.5150	0.240	3	108.8552	13.508	6	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.6555	0.433	2	108.8072	0.110	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1180	0.000	1	108.8072	0.110	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8000	0.000	1	108.8072	0.110	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(O[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]O)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7675	0.045	2	108.7675	0.002	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6,6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.7025	0.339	4	106.7025	0.115	4	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.4070	0.000	1	107.3675	2.161	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(O[6]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.3280	0.000	1	107.3675	2.161	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]C[6]OO)(O[6]C[6])(H){2|F<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[6a]C[6]O[6])	108.4900	0.000	1	108.4900	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[3,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7240	0.000	1	108.7240	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6,6])(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9553	0.183	3	108.9553	0.034	3	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.9716	0.300	5	108.0414	0.442	10	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8685	1.433	2	108.0414	0.442	10	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7290	0.000	1	108.0414	0.442	10	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.3340	0.000	1	108.0414	0.442	10	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]C[6])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7560	0.000	1	108.0414	0.442	10	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2920	0.000	1	109.2920	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(O[6]P[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<4>,1|P<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.3100	0.000	1	107.3100	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	111.3800	0.000	1	111.3800	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|Cl<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|F<1>,1|N<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1960	0.000	1	109.1960	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7730	0.078	2	108.3317	1.013	7	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0368	1.322	4	108.3317	1.013	7	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]C[6])(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6290	0.000	1	108.3317	1.013	7	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(O[6]N[6])(H){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.9690	0.000	1	109.9690	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]CH)(O[6]C[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.5955	0.408	2	109.5955	0.166	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]C[6])(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9780	0.000	1	108.9780	0.000	1	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(O[6]N[6])(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.5320	0.161	2	109.5320	0.026	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6360	0.031	2	108.6360	0.001	2	108.6765	0.976	181	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	106.8440	0.000	1	107.4890	0.832	2	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(S[6]C[6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]S[6])	108.1340	0.000	1	107.4890	0.832	2	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	97.2147	2.542	2	100.0020	31.153	4	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.0770	0.000	1	100.0020	31.153	4	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6,6])(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	97.5015	0.000	1	100.0020	31.153	4	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.5370	0.000	1	108.6505	0.437	11	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	109.4660	0.447	3	108.6505	0.437	11	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.6800	0.343	3	108.6505	0.437	11	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	107.9650	0.302	3	108.6505	0.437	11	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.2860	0.000	1	108.6505	0.437	11	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(S[6]C[6])(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	107.8660	0.000	1	107.8660	0.000	1	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]S[6]HH)(S[6]C[5,6])(H){1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|S<2>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	106.7750	0.000	1	106.7750	0.000	1	106.5675	17.902	19	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:C[6]-4:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H)	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]Se[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(Se[6]C[6])(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]Se[6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]Se[6]C[6])	108.5325	0.019	2	108.5325	0.000	2	108.5325	0.000	2	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:2:1:	4:3:3:	4:	C[6a]-3:P[6]-4:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]O[6]P[6])	C[6](C[6a]C[6a]2)(P[6]C[6]OO)(O[6]C[6])(H){1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]O[6]P[6])	108.1450	0.728	2	108.1450	0.530	2	108.1450	0.530	2	108.4142	2.688	221	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]CC)(C[6]C[6]O)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6a]C[6]2)	106.4260	0.272	2	106.4260	0.074	2	106.4260	0.074	2	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.9950	0.000	1	108.4365	0.624	2	108.3642	0.217	4	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8780	0.000	1	108.4365	0.624	2	108.3642	0.217	4	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.2920	0.081	2	108.2920	0.006	2	108.3642	0.217	4	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4780	0.023	2	107.4747	0.000	3	107.1822	0.209	6	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	107.4680	0.000	1	107.4747	0.000	3	107.1822	0.209	6	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2980	0.000	1	107.2980	0.000	1	107.1822	0.209	6	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0610	0.000	1	107.0610	0.000	1	107.1822	0.209	6	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.3100	0.000	1	106.3100	0.000	1	107.1822	0.209	6	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]BH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|B<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1640	0.000	1	107.1640	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|Cl<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8190	0.000	1	107.8190	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.3460	0.000	1	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	106.5010	0.060	3	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.7960	0.000	1	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.5080	0.000	1	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]2)	106.2300	2.260	2	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8970	0.000	1	106.7233	0.849	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9177	0.725	3	107.0994	0.577	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7450	0.000	1	107.0994	0.577	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){1|S<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.3080	0.335	2	107.0994	0.577	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8405	0.100	2	107.0994	0.577	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5690	0.000	1	107.5690	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1400	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2800	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.0710	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6a]C[6]2)	106.5120	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.8010	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5680	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1470	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4710	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.9760	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.0210	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9790	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]C)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1210	0.000	1	107.4239	0.364	12	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6650	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6380	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3150	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5850	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	98.7181	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6380	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3113	0.627	4	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.1320	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1460	0.231	2	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9740	0.000	1	106.7287	5.586	14	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1700	0.679	2	107.1700	0.461	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0765	0.202	2	106.8793	0.137	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]O)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.4850	0.000	1	106.8793	0.137	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]O)(H){1|S<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4280	0.000	1	107.4280	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]O[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	104.9670	0.000	1	104.9670	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8300	0.000	1	106.9580	0.033	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	107.0860	0.000	1	106.9580	0.033	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]2)	105.4200	1.084	3	105.4200	1.174	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CS)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5180	0.194	2	107.5180	0.038	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8830	0.062	3	106.8830	0.004	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7170	0.000	1	107.3510	0.184	4	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Br<1>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2290	0.432	3	107.3510	0.184	4	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.2998	0.256	4	108.2998	0.065	4	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	110.6990	0.000	1	110.6990	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4560	0.000	1	106.4560	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1960	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8205	0.039	2	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0650	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9270	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.5210	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.0120	0.000	2	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6455	0.739	2	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2930	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.1700	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.6030	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5697	0.858	3	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9280	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5565	0.016	2	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.3220	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1800	0.008	2	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8780	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6590	0.000	1	107.4042	0.524	24	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Cl<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.0250	0.000	1	108.0250	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|Br<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.9980	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.3910	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4755	0.257	2	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.8010	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9260	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.9970	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.3780	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)(H){2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	109.1930	0.000	1	107.5150	0.964	9	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|F<1>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6270	0.000	1	107.6270	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8500	0.000	1	107.8500	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2610	0.000	1	108.0875	1.366	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.9140	0.000	1	108.0875	1.366	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.4520	0.000	2	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7285	0.036	2	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3130	0.000	2	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.6785	0.456	2	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2960	0.000	1	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]C)(H){2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.4190	0.000	1	108.0059	0.367	10	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]O)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2530	0.000	1	106.2530	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.4010	0.000	1	106.9398	1.024	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5605	1.624	2	106.9398	1.024	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.9992	0.586	5	106.9398	1.024	8	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9640	0.000	1	106.9640	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9390	0.000	1	107.9390	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5560	0.000	1	106.5560	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.5470	0.000	1	105.5470	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]N[6]C)(H){1|O<1>,2|C<3>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.6760	0.000	1	107.6760	0.000	1	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.1960	0.888	2	108.1960	0.789	2	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2260	0.000	1	107.9703	0.435	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.2020	0.000	1	107.9703	0.435	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.4830	0.000	1	107.9703	0.435	3	107.2712	1.323	140	107.2853	1.271	152	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H)	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(H){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6a]C[6a]N[6a])(C[6]C[6]N[6]H)(N[6a]C[6a,6a]){1|N<3>,2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]N[6])	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	108.7880	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6,6]N[6]H)(C[6a]C[6a]H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.9560	0.000	2	107.9560	0.000	2	107.9560	0.000	2	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]B[5]C[6]H)(N[6]C[6,6a]C)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|B<3>,1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8790	0.000	1	106.8790	0.000	1	107.1665	0.165	2	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4540	0.000	1	107.4540	0.000	1	107.1665	0.165	2	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	106.6270	0.000	1	106.3365	0.169	2	106.9850	1.346	3	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	106.0460	0.000	1	106.3365	0.169	2	106.9850	1.346	3	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	3:4:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]N[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2820	0.000	1	108.2820	0.000	1	106.9850	1.346	3	107.3143	0.675	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]CH)(N[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0265	0.203	2	107.0265	0.041	2	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|Br<1>,1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5030	0.000	1	107.5030	0.000	1	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.6275	0.067	2	106.4549	0.559	7	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	105.7567	0.342	3	106.4549	0.559	7	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.5120	0.000	1	106.4549	0.559	7	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	107.1470	0.000	1	106.4549	0.559	7	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]CH)(N[6]C[6]C)(H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.5950	0.000	1	106.5950	0.000	1	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9460	0.203	4	107.9460	0.041	4	107.0079	0.686	15	107.0079	0.686	15	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6,6]C[5])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]2C[6a])	104.7560	0.000	1	104.7560	0.000	1	104.7560	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.0550	0.000	1	106.0550	0.000	1	106.7915	1.085	2	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|N<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.5280	0.000	1	107.5280	0.000	1	106.7915	1.085	2	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5,6]C[6a])	108.9390	0.723	2	108.9390	0.522	2	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.5380	0.000	1	106.5380	0.000	1	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[5,6]C[6a])	107.1040	0.000	1	107.1040	0.000	1	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.3550	0.065	2	106.3383	0.003	3	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H){1|S<1>,1|S<2>,2|N<3>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.3050	0.000	1	106.3383	0.003	3	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	106.8737	0.280	3	106.8737	0.079	3	107.1156	1.073	10	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<2>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.6625	0.005	2	108.6625	0.000	2	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.4700	0.591	2	109.1497	0.483	3	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	108.5090	0.000	1	109.1497	0.483	3	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	108.7150	0.000	1	108.7150	0.000	1	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.0200	0.000	1	109.0200	0.000	1	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	109.1200	0.000	1	109.1200	0.000	1	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6a]C[6])	107.1025	0.421	2	107.1025	0.177	2	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.6570	0.000	1	107.6570	0.000	1	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.8247	0.104	4	107.8247	0.011	4	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6a]C[6])	107.9080	0.673	2	107.9080	0.453	2	108.2709	0.619	17	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[6a]P[6])	C[6](C[5a,6]C[5a,6]S[5a])(P[6]C[5a,6]C[6a]S)(C[6a]C[6a]2)(H){1|S<2>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]P[6]H)(C[6a]C[6a]H)2{1|S<1>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6a]P[6])	106.2260	0.000	1	106.2260	0.000	1	106.2260	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<3>,3|H<1>,6|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	104.7150	0.000	1	105.1345	0.352	2	106.6513	3.215	4	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5540	0.000	1	105.1345	0.352	2	106.6513	3.215	4	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	108.1680	0.303	2	108.1680	0.092	2	106.6513	3.215	4	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[3,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[3,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]N[3]C)(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|H<1>,3|O<2>}	C[6a](C[6]C[6,6a]C[3,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[3,6]C[6a])	107.5800	0.544	2	107.5800	0.296	2	107.5800	0.296	2	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{4|C<3>,4|C<4>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1560	0.000	1	107.1560	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.3800	0.168	2	107.4940	0.053	3	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7220	0.000	1	107.4940	0.053	3	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.5300	0.000	1	106.5300	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.2040	0.000	1	105.2040	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.8685	0.514	2	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.4110	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.4810	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7788	0.406	8	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|H<1>,2|N<3>,2|O<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.8480	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.8847	1.485	3	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7565	0.511	2	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.3517	1.000	9	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|Br<1>,1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.7710	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.9140	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.2350	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.9637	0.254	3	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	108.1400	0.000	1	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.5090	0.682	3	107.3113	0.790	37	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]O)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|O<2>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	101.6890	0.000	1	101.6890	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|N<2>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	106.6750	0.000	1	106.6750	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	105.1330	0.000	1	105.1330	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,3|C<3>,3|O<2>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.1150	0.000	1	107.1150	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,7|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	111.5750	0.000	1	111.5750	0.000	1	107.1683	1.866	48	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	104.7740	0.000	1	104.7740	0.000	1	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.7910	0.041	2	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.6220	0.000	1	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	108.6620	0.000	1	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4930	0.061	2	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.7950	0.000	1	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){3|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.5120	0.587	2	107.2968	0.450	9	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6]C)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	102.5190	0.000	2	102.5190	0.000	2	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|O<1>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4675	0.320	2	107.4430	0.036	4	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|O<1>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{3|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.4185	0.050	2	107.4430	0.036	4	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.5590	0.000	1	106.5590	0.000	1	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.9610	0.000	1	107.9610	0.000	1	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|O<1>,3|H<1>,3|N<3>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.9520	0.000	1	106.9520	0.000	1	106.6698	2.747	19	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.7240	0.000	1	105.7240	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]BrH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0360	0.000	1	107.0360	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.4560	0.000	1	107.1430	0.109	4	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0930	0.000	1	107.1430	0.109	4	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	106.7020	0.000	1	107.1430	0.109	4	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	107.3210	0.000	1	107.1430	0.109	4	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.6750	0.000	1	107.6750	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.2085	0.921	4	107.2452	0.383	9	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1830	0.000	1	107.2452	0.383	9	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.5890	0.000	1	107.2452	0.383	9	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1445	0.605	2	107.2452	0.383	9	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6a]C[6a]C[6])	107.3120	0.000	1	107.2452	0.383	9	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9810	0.000	1	106.9810	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|N<2>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.3820	0.000	1	106.3820	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,9|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{2|H<1>,6|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4360	0.000	1	107.4360	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	105.8190	0.000	1	105.8190	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.2370	0.352	3	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	108.2180	0.000	1	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.4400	0.000	1	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.1903	0.511	3	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.6795	0.196	2	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.4228	0.485	5	107.2275	0.296	15	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|F<1>,2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.9660	0.000	1	107.0327	1.850	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.0660	1.922	2	107.0327	1.850	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	107.9330	0.913	3	107.9330	0.834	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.0925	1.261	2	107.4393	1.156	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[3,6]CH)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	108.1330	0.000	1	107.4393	1.156	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6a]C[6])	106.0670	0.000	1	106.0670	0.000	1	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	107.1650	0.192	3	107.1650	0.037	3	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]C[6])	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]C[6,6a]C[6a]C[6])	106.4160	0.803	2	106.4160	0.645	2	107.1371	0.516	50	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6,6a]-3:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6a]P[6])	C[6](C[6,6a]C[6,6a]C[6a])(P[6]C[6a]C[6]S)(C[6a]C[6a]2)(H){4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]P[6]H)(C[6a]C[6a]H)2{1|S<1>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[6a]P[6])	107.2880	0.485	2	107.2880	0.235	2	107.2880	0.235	2	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	105.7334	0.217	11	105.7996	0.348	13	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>,5|C<4>}	H(C[6]C[6a]C[6]N[6])	107.4670	0.000	1	105.7996	0.348	13	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6a]C[6]N[6])	104.8610	0.000	1	105.7996	0.348	13	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4270	0.000	1	107.7138	0.084	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6880	0.243	3	107.7138	0.084	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]H)(H){1|N<2>,1|S<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0780	0.000	1	107.7138	0.084	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	106.3010	0.000	1	106.3010	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]C[6]S)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<2>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	109.1340	0.000	1	109.1340	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7860	1.796	2	106.7860	3.226	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3030	1.226	2	107.2103	0.826	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1175	0.969	2	107.2103	0.826	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9150	0.000	1	107.3442	1.286	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2015	1.256	4	107.3442	1.286	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2489	0.282	13	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8890	0.000	1	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9688	0.086	4	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.9240	0.000	1	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2820	0.000	1	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0096	0.796	36	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6a]C[6]N[6])	107.2010	0.217	3	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6a]C[6]N[6])	107.5075	0.597	4	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.0075	1.504	4	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2080	0.000	1	107.2415	0.831	68	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3410	0.000	1	108.3410	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|I<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7955	0.005	2	108.7955	0.000	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.4890	0.000	1	108.0022	1.822	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|S<1>,2|C<3>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9420	0.000	1	108.0022	1.822	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2380	0.000	1	108.0022	1.822	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6710	0.059	2	108.0022	1.822	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8120	0.000	1	108.8120	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3603	0.435	3	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4830	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2513	0.508	9	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5330	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7430	1.257	4	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0230	0.062	2	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5580	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6176	0.198	12	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8640	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2363	0.568	3	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9930	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8080	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8810	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1150	0.000	1	108.5540	0.701	41	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1250	1.178	2	107.1250	1.388	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8773	0.786	3	106.7897	0.442	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5270	0.000	1	106.7897	0.442	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]O[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.4460	0.000	1	106.4460	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9960	0.242	2	106.9960	0.058	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|O<2>,1|S<4>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9100	0.000	1	105.9100	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.6160	0.000	1	108.6160	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2090	0.000	1	106.2090	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8680	0.000	1	107.8680	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8717	0.484	4	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2560	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3935	0.212	11	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5140	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4670	1.314	2	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.2670	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2003	0.802	35	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4000	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6500	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1570	0.191	5	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4887	1.092	8	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.5000	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1525	0.397	2	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0690	0.033	2	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9909	0.239	8	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9510	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0345	0.012	2	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6960	0.000	1	107.4957	0.789	87	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0480	0.085	2	107.0480	0.007	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2832	0.574	4	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7180	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7680	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|F<1>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2050	0.120	2	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4780	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8917	0.449	18	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6958	0.175	5	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9330	0.531	3	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4230	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|O<2>,1|S<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8230	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1360	0.327	3	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0727	0.717	4	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	104.5140	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9150	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9060	0.000	1	108.5131	0.702	47	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7430	0.000	1	107.6137	0.013	3	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5490	0.023	2	107.6137	0.013	3	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6610	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1650	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4295	0.084	2	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7592	0.784	4	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9020	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6133	0.686	4	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.8550	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2030	0.008	2	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|Cl<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1200	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4860	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5280	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2352	0.746	4	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1397	0.800	4	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|H<1>,4|C<4>}	H(C[6]C[6a]C[6]N[6])	106.3830	0.000	1	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3525	0.032	2	107.2020	0.816	30	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|H<1>,1|N<2>,1|O<2>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1720	0.000	1	107.1720	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2583	0.144	3	107.3413	0.041	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5900	0.000	1	107.3413	0.041	4	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]N[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.2160	0.000	1	109.2160	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6660	0.000	1	108.4787	0.602	3	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]C)(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|S<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.3850	1.073	2	108.4787	0.602	3	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]S[6]H)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1880	1.249	2	108.1880	1.559	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]2)(H){1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.0850	0.000	1	109.0850	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.4055	0.655	2	106.4055	0.430	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.6740	0.258	10	109.6740	0.067	10	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6820	0.000	1	106.6820	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0150	0.000	1	108.4955	0.462	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9760	0.000	1	108.4955	0.462	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(N[6]O[6]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,1|S<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	110.0460	0.000	1	110.0460	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>,2|F<1>}	H(C[6]C[6a]C[6]N[6])	106.9510	0.000	1	106.9510	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2250	0.000	1	107.2250	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]S)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.2420	0.000	1	106.2420	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3590	0.000	1	106.9420	0.348	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5250	0.000	1	106.9420	0.348	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8140	0.000	1	107.8140	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.2820	0.631	2	108.9440	0.622	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HS)(N[6]C[6]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3853	0.561	3	108.9440	0.622	5	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<4>,2|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0030	0.000	1	108.0030	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]CH)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1370	0.000	1	108.1370	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]2)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8560	0.000	1	106.8560	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.4760	1.956	2	109.4760	3.825	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9680	0.000	1	108.9680	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4390	0.000	1	108.4390	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]O)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8830	0.190	2	108.8830	0.036	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]N[6]HH)(N[6]C[6]S)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4020	0.000	1	107.4020	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	105.9790	0.071	2	107.7008	2.560	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6700	0.000	1	107.7008	2.560	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5970	0.000	1	107.7008	2.560	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	110.1280	0.000	1	107.7008	2.560	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]C)(H){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8520	0.000	1	107.7008	2.560	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.8355	0.129	2	109.3420	0.528	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3880	0.000	1	109.3420	0.528	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){1|P<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6185	0.958	2	109.3420	0.528	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	109.7560	0.000	1	109.3420	0.528	6	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]O)(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9720	0.368	3	106.9720	0.136	3	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]C[6]S)(H){3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0700	0.000	1	108.0700	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HH)(N[6]N[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7300	0.000	1	107.7300	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]O[6]HO)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5010	0.000	1	107.5010	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1690	0.000	1	107.1690	0.000	1	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]S[6]CH)(N[6]C[6]H)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.8970	2.557	2	108.8970	6.538	2	107.7427	1.318	401	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:C[6]-4:P[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]P[6])	108.0525	0.258	2	108.0525	0.067	2	108.0525	0.067	2	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H)	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]P[6])	C[6](C[6a]C[6a]2)(P[6]O[6]HO)(N[6]C[6]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	H(C[6]C[6a]N[6]P[6])	109.7520	0.000	1	109.7520	0.000	1	109.7520	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]Ga[6]C[6])	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]Ga[6]C[6]H)(C[6a]C[6a]H)2{1|Ga<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]Ga[6]C[6])	103.8920	0.000	1	103.8920	0.000	1	103.8920	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.9163	0.932	3	107.5412	1.142	4	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	106.4160	0.000	1	107.5412	1.142	4	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.9742	0.580	4	107.9742	0.336	4	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]N[5,6]C[6a]C[6])	108.0450	0.033	2	108.0450	0.001	2	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]N[5,6]C[6a]C[6])	108.8280	0.000	1	108.2925	0.574	2	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5,6]C[6a]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]N[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]N[5,6]C[6a]C[6])	107.7570	0.000	1	108.2925	0.574	2	107.8948	0.536	12	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5a,6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6,6]C[6a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]N[5a,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]N[5a,6]C[6,6]C[6a])	107.9670	0.000	1	107.9670	0.000	1	107.9670	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O)	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|H<1>,1|O<2>,3|C<4>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]N[5a,6]C[6a]C[6])	108.9490	0.047	2	108.9490	0.002	2	109.5180	0.972	3	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[5a,6]C[6a]C[6])	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6]N[5a,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]N[5a,6]C[6a]C[6])	110.6560	0.000	1	110.6560	0.000	1	109.5180	0.972	3	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6,6a]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]N[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6a]C[6,6]C[6a])	C[6](N[6,6a]C[6,6a,6a]C[6a,6a])(C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(H){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6]N[6,6a]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]N[6,6a]C[6,6]C[6a])	106.2750	0.000	1	106.2750	0.000	1	106.2750	0.000	1	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.0570	0.000	1	107.4495	0.308	2	107.2963	0.224	3	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8420	0.000	1	107.4495	0.308	2	107.2963	0.224	3	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](N[6]C[6,6a]S)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|Br<1>,2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.9900	0.000	1	106.9900	0.000	1	107.2963	0.224	3	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]BrC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8320	0.000	1	106.8320	0.000	1	106.8144	0.481	5	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[5a,6]S)(C[6]C[6]ClC)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|S<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	106.7800	0.000	1	106.7800	0.000	1	106.8144	0.481	5	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.8000	0.000	1	105.8000	0.000	1	106.8144	0.481	5	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9050	0.000	1	106.9050	0.000	1	106.8144	0.481	5	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:3:1:	4:3:3:	4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7550	0.000	1	107.7550	0.000	1	106.8144	0.481	5	107.5911	1.429	586	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]2)(C[6]C[6]2H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1600	0.000	1	108.1600	0.000	1	107.7182	0.233	5	107.7182	0.233	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2840	0.000	1	107.2840	0.000	1	107.7182	0.233	5	107.7182	0.233	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	2:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7157	0.524	3	107.7157	0.274	3	107.7182	0.233	5	107.7182	0.233	5	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[5a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.1640	0.078	2	106.1640	0.006	2	106.1640	0.006	2	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]CO)(H){1|H<1>,1|O<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.5830	0.000	1	106.5830	0.000	1	107.0470	0.210	5	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,4|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3040	0.000	1	107.3040	0.000	1	107.0470	0.210	5	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6620	0.000	1	107.6620	0.000	1	107.0470	0.210	5	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(C[6]C[6]2H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6240	0.000	1	106.6240	0.000	1	107.0470	0.210	5	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]HH)2(H){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.0620	0.000	1	107.0620	0.000	1	107.0470	0.210	5	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]2H)(C[6]C[6]HH)(H){1|Br<1>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6720	0.000	1	107.6720	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.4920	0.219	3	106.7828	0.310	5	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.7140	0.000	1	106.7828	0.310	5	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7240	0.000	1	106.7828	0.310	5	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]CO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|O<2>,2|H<1>,4|C<4>}	H(C[6]C[6a]C[6]2)	104.8765	0.431	2	104.8765	0.185	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0393	0.173	3	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6110	0.000	1	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8690	0.140	2	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8130	0.000	1	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.6183	1.064	3	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6295	0.139	2	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2750	0.000	1	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5590	0.378	2	106.5191	0.441	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8100	0.000	1	105.7835	0.001	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|Br<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.7570	0.000	1	105.7835	0.001	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.1875	1.115	2	107.4900	2.768	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7925	2.587	2	107.4900	2.768	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	104.8490	0.000	1	104.7950	0.006	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CC)2(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	104.7410	0.000	1	104.7950	0.006	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9570	0.000	1	106.6335	0.209	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|F<1>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.3100	0.000	1	106.6335	0.209	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7040	0.000	1	107.7040	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)2(H){2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|F<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.9870	0.000	1	107.9870	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6750	0.000	1	107.6750	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.1375	0.009	2	107.1375	0.000	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5790	0.000	1	107.5790	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|Cl<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.8190	0.000	1	107.7270	0.017	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6350	0.000	1	107.7270	0.017	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.5140	0.000	1	106.9205	0.330	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3270	0.000	1	106.9205	0.330	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.5400	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8600	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9940	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.0270	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.7127	0.761	7	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.1120	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6485	0.353	2	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.1865	0.424	2	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	104.6790	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7937	0.209	3	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8280	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.8921	0.471	11	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.2940	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.0549	1.296	11	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.7050	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.4780	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.0750	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6300	0.000	1	107.2225	1.042	48	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|Cl<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.0780	0.000	1	105.0780	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8037	0.704	3	107.2212	1.202	8	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.2930	0.000	1	107.2212	1.202	8	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.5165	1.044	4	107.2212	1.202	8	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4910	0.000	1	106.4910	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]HS)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8980	0.000	1	106.8980	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|F<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.0920	0.000	1	108.0920	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<4>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8450	0.000	1	106.8890	2.180	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]N[6]HH)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9330	0.000	1	106.8890	2.180	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]S[6]CH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8680	0.000	1	107.8680	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0740	0.061	2	107.3503	0.231	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.9030	0.000	1	107.3503	0.231	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9870	0.000	1	106.1220	1.496	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	H(C[6]C[6a]C[6]2)	105.2570	0.000	1	106.1220	1.496	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.5440	0.000	1	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7890	0.000	2	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1880	0.000	2	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2083	0.433	7	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8480	0.000	1	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1120	0.000	1	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.1710	0.000	1	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6770	0.091	2	107.4965	0.194	17	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.6423	0.596	4	105.4120	0.873	12	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.8890	0.211	2	105.4120	0.873	12	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	104.3350	0.102	4	105.4120	0.873	12	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HH)(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6285	0.436	2	105.4120	0.873	12	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CN)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|N<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.4690	0.000	1	107.4690	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8995	0.312	2	106.8995	0.097	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.0963	0.169	3	107.0180	0.137	5	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HH)(H){1|C<4>,1|F<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.9005	0.668	2	107.0180	0.137	5	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.7340	0.000	1	107.2780	0.592	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)(C[6]C[6]HO)(H){1|F<1>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|F<1>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8220	0.000	1	107.2780	0.592	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]FH)2(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|F<1>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.0810	0.608	2	106.0810	0.370	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8860	0.000	1	107.8860	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9390	0.000	1	107.9390	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.0410	0.462	2	105.0410	0.214	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7200	0.855	3	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4800	0.000	1	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.2043	0.286	3	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.3100	0.000	1	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.4545	0.354	2	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HN)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.7044	1.669	5	107.0663	1.761	15	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1805	0.169	2	107.1805	0.029	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.7230	0.079	2	106.7230	0.006	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.2375	0.909	8	107.3485	0.625	11	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.3880	0.000	1	107.3485	0.625	11	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HO)(H){2|C<3>,2|O<2>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7730	0.117	2	107.3485	0.625	11	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]HS)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|S<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6645	0.011	2	107.6645	0.000	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<4>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.7140	0.000	1	105.7140	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]OO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.4250	0.000	1	105.4250	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]CC)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2250	0.000	1	106.2250	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3180	0.000	1	108.3720	1.622	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	109.7870	0.000	1	108.3720	1.622	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.0110	0.000	1	108.3720	1.622	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]N[6]HO)(H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.5050	0.000	1	106.5050	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6820	0.000	1	107.6820	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3520	0.332	3	107.6295	0.382	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]O[6]HH)(H){3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.4620	0.000	1	107.6295	0.382	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.4430	0.000	1	108.4430	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]S[6]CH)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.9360	0.146	2	106.9360	0.021	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.2938	0.284	26	107.2938	0.081	26	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7267	0.314	3	107.7267	0.099	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]N[5])(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6512	0.170	6	107.6512	0.029	6	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.5340	0.000	1	106.5340	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(C[6]C[6]2H){3|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4450	0.327	2	107.4450	0.107	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2680	0.256	2	107.2680	0.066	2	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,5|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.2785	0.342	4	107.2785	0.117	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7270	0.174	5	107.8394	0.062	7	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1205	0.182	2	107.8394	0.062	7	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.9307	0.466	3	107.1065	0.269	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6340	0.000	1	107.1065	0.269	4	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|Br<1>,1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.5920	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.9400	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.3060	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3957	0.133	3	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.1920	0.349	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.6610	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.1100	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.6760	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.7520	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8150	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.1020	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3675	0.067	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,1|S<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.9050	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.5450	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|F<1>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4170	0.215	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.9753	1.655	28	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.1600	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4417	0.280	4	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Si<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3030	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|Si<4>,1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.1885	0.105	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.1185	0.735	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.2820	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.4580	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.6760	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.1390	0.341	5	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.0563	0.173	3	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|N<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|S<4>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7205	0.067	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.5560	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	103.0020	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.8690	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.0210	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.9885	0.124	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.0240	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4410	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3890	0.484	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.9770	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3470	0.567	3	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	102.0556	7.246	2	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(H){3|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.1660	0.000	1	107.1066	2.435	88	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(C[6]C[6]HP)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,1|P<4>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8910	0.000	1	107.8910	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HN)2(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.9710	0.000	1	105.9710	0.000	1	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|C<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.4650	0.132	2	107.6093	0.071	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]O[6]HH)2(H){1|P<4>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.8980	0.000	1	107.6093	0.071	3	107.0797	1.321	351	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.5000	0.000	1	107.8221	0.080	13	107.8221	0.080	13	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:N[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7656	0.206	12	107.8221	0.080	13	107.8221	0.080	13	107.1003	1.278	371	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a,6a]N[6a])(C[6]C[6,6]HH)(C[6]C[6]HH)(H){3|C<3>,5|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]2H)(N[6a]C[6a]){2|C<4>,4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.7440	0.000	1	108.7440	0.000	1	108.7440	0.000	1	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9460	0.000	1	107.7750	0.128	3	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(C[6]N[6]HH)(H){2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6895	0.460	2	107.7750	0.128	3	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6220	0.000	1	107.6220	0.000	1	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.1990	0.000	1	106.6814	1.334	7	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<2>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.5952	1.240	6	106.6814	1.334	7	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|N<3>,1|O<2>,4|H<1>}	C[6a](C[6a]N[6a]O)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7130	0.560	2	107.7130	0.314	2	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]O[6]HH)2(H){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|O<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.9980	0.000	1	107.9980	0.000	1	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]N[6a])(C[6]S[6]HH)2(H){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<3>,2|S<2>,6|H<1>}	H(C[6]C[6a]C[6]2)	109.2270	0.170	2	109.2270	0.029	2	107.4747	1.322	16	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	3:4:2:	4:	C[6a]-3:C[6]-4:C[6]-4:H-1:	C[6a]-3:C[6]-4:O[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)2(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(O[6a]C[6a]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3340	0.000	1	107.3340	0.000	1	107.3340	0.000	1	107.5374	1.258	18	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:2:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]HH)(N[6]C[6]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	107.5260	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8380	0.000	1	107.8178	0.028	4	107.7947	0.019	6	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6930	0.018	2	107.8178	0.028	4	107.7947	0.019	6	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0470	0.000	1	107.8178	0.028	4	107.7947	0.019	6	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]HH)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7870	0.000	1	107.7870	0.000	1	107.7947	0.019	6	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(N[6]C[6]HH)(H){1|C<4>,2|C<3>,2|F<1>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|C<3>,1|O<2>,2|C<4>,2|F<1>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7100	0.000	1	107.7100	0.000	1	107.7947	0.019	6	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:P[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(P[6]C[6]2O)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]P[6])	106.2600	1.307	2	106.2600	1.708	2	106.2600	1.708	2	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	3:4:4:1:	4:3:3:	4:	C[6a]-3:C[6]-4:S[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6a]C[6a]2)(C[6]C[6]HN)(S[6]O[6]OO)(H){2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	107.1090	0.000	1	107.1090	0.000	1	107.1090	0.000	1	107.3774	0.677	9	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[3x6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[3x6]C[6a]O[6])	C[6](C[3x6]C[6,6]N[4x6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<1>,3|C<3>,3|H<1>,5|C<4>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[3x6]O[6]H)(C[6a]C[6a]H){1|N<2>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[3x6]C[6a]O[6])	108.7670	0.000	1	108.7670	0.000	1	108.7670	0.000	1	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6,6]C[6a]O[6])	C[6](C[5,6,6]C[5,5,6,6]C[5,6]H)(C[6a]C[6a,6a]C[6a])(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H){3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6a]O[6])	107.3210	0.000	1	107.3210	0.000	1	107.3210	0.000	1	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a,6a]C[6a])(O[6]C[6,6a])(H){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6]C[5,6]O[6]H)(C[6a]C[6a]H){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.4570	0.000	1	108.4570	0.000	1	108.4570	0.000	1	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Br<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.6990	0.000	1	108.6990	0.000	1	109.0240	0.122	4	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|Se<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1420	0.000	1	109.1420	0.000	1	109.0240	0.122	4	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,2|H<1>,7|C<3>}	C[6a](C[6a]C[6a,6a]O)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.4640	0.000	1	109.4640	0.000	1	109.0240	0.122	4	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	3:4:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6]C[6]O[6]H)(C[6a]C[6a]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7910	0.000	1	108.7910	0.000	1	109.0240	0.122	4	108.6630	0.457	7	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:2:	4:	C[5,6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6,6]C[6a]O[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6a]C[6a]N[6a])(O[6]C[6,6a])(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6,6]O[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6a]O[6])	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.8030	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6a]O[6])	C[6](C[3,6]N[3,6]C[3]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[3,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	H(C[6]C[3,6]C[6a]O[6])	108.2790	0.000	1	108.2790	0.000	1	108.2790	0.000	1	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[3,5]N[5,6]C)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.0220	0.000	1	108.0220	0.000	1	107.5200	0.504	2	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6,6a])(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.0180	0.000	1	107.0180	0.000	1	107.5200	0.504	2	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Cr<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.5570	0.000	1	105.3907	2.087	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|Mo<6>,1|O<2>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	104.6940	0.037	2	105.3907	2.087	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5,6]C[5]C)(C[6a]C[6a]2)(O[6]P[5,6])(H){1|O<2>,1|W<6>,2|H<1>,3|C<3>,4|C<4>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|P<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	104.6180	0.000	1	105.3907	2.087	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.4223	0.301	4	107.4306	0.068	5	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,5]C[5,6]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.4640	0.000	1	107.4306	0.068	5	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|N<3>,4|C<3>,6|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6a]O[6])	108.7050	0.000	1	108.7050	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.1780	0.000	1	108.1780	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]2N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	106.1455	0.520	2	106.1455	0.270	2	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<2>,1|N<2>,1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	112.5380	0.000	1	112.5380	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|Br<1>,1|C<2>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.9060	0.000	1	108.9060	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.4360	0.000	1	108.8089	0.124	10	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.9870	0.000	1	108.8089	0.124	10	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.7999	0.383	7	108.8089	0.124	10	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	109.0670	0.000	1	108.8089	0.124	10	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,1|S<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6a]O[6])	109.4720	0.000	1	109.4720	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6])(H){5|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.9870	0.000	1	107.9870	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5,6]C[6a]O[6])	105.9950	0.273	2	106.5420	0.935	3	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]C[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.6360	0.000	1	106.5420	0.935	3	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.4340	0.000	1	108.4340	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.5060	0.000	1	108.4890	0.213	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	107.9770	0.000	1	108.4890	0.213	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(O[6]P[6])(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.7365	0.503	2	108.4890	0.213	4	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6]O[5]N)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.4540	0.000	1	108.4540	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.7890	0.000	1	108.6540	0.036	2	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){2|H<1>,7|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.5190	0.000	1	108.6540	0.036	2	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.3660	0.000	1	108.3660	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]O[6])	108.1330	0.000	1	108.1330	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]O[6])	107.5580	0.000	1	107.5580	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]O[6])	106.5590	0.000	1	106.5590	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]O[6])	106.5580	0.073	3	106.5580	0.005	3	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]O[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]O[6])	108.7260	0.000	1	108.7260	0.000	1	107.8625	2.084	46	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H)	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]S[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(S[6]C[5a,6])(H){1|S<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]S[6])	106.9130	0.000	1	106.9130	0.000	1	107.3230	0.149	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]S[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]S[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]S[6])	107.5280	0.212	2	107.5280	0.045	2	107.3230	0.149	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.5840	0.000	1	107.5840	0.000	1	107.2745	0.192	2	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6])(H){3|C<3>,3|H<1>,3|N<3>,3|O<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.9650	0.000	1	106.9650	0.000	1	107.2745	0.192	2	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[3,6,6]C[6]H)(C[6a]C[6a]2)(O[6]Si[6])(H){1|N<3>,3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.3070	0.000	1	109.3070	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5850	0.000	1	108.5850	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.2850	0.000	1	109.2850	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.8240	0.000	1	108.8240	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.2310	0.000	1	108.2310	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.2220	0.000	1	107.2220	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.0250	0.000	1	108.0250	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2040	0.000	1	108.2040	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	107.8110	0.000	1	108.2454	0.872	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.0720	0.040	2	108.2454	0.872	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	107.4250	0.000	1	108.2454	0.872	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[5a,6])(H){2|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	109.8470	0.000	1	108.2454	0.872	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	107.7870	0.000	1	107.7870	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	112.4040	0.000	1	112.4040	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|Cl<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.8160	0.000	1	108.8160	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3540	0.000	1	108.3540	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.2805	1.934	2	108.7266	1.246	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2510	0.000	1	108.7266	1.246	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.4105	0.452	2	108.7266	1.246	5	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[5a,6])(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.8410	0.000	1	108.8410	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.7205	0.190	2	108.4420	0.205	4	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5300	0.000	1	108.4420	0.205	4	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6])(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	107.7970	0.000	1	108.4420	0.205	4	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.4040	0.511	2	108.3395	0.684	6	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.0950	0.000	1	108.3395	0.684	6	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.1280	0.000	1	108.3395	0.684	6	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.0030	1.498	2	108.3395	0.684	6	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|Br<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3340	0.157	2	108.3340	0.025	2	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3780	0.000	1	108.3780	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|F<1>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]O[6])	109.3380	0.000	1	109.3380	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.0880	0.000	1	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,7|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]O[6])	108.1270	0.000	1	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	112.6590	0.000	1	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.5655	0.103	2	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	109.2845	0.378	2	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.3350	0.409	4	108.9013	1.784	11	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6]O[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]O[6])	108.8600	0.000	1	108.8600	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.2260	0.417	2	108.2260	0.174	2	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6,6])(H){2|C<3>,2|C<4>,2|N<3>,2|O<1>,5|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.3797	0.106	3	108.3797	0.011	3	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]O[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,2|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]O[6])	108.9720	0.000	1	108.9720	0.000	1	108.6231	0.981	55	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6,6a])(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]S[6])	107.4470	0.000	1	107.4470	0.000	1	106.8238	0.433	6	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|F<1>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]S[6])	107.6840	0.000	1	107.6840	0.000	1	106.8238	0.433	6	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]S[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]S[6])	106.4530	0.402	4	106.4530	0.162	4	106.8238	0.433	6	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6])(H){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6520	0.000	1	107.6520	0.000	1	107.2458	0.134	4	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6])(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<1>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2740	0.000	1	107.2740	0.000	1	107.2458	0.134	4	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6])(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2940	0.000	1	107.2940	0.000	1	107.2458	0.134	4	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6])(H){3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7630	0.000	1	106.7630	0.000	1	107.2458	0.134	4	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|Cl<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.2090	0.000	1	109.2090	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	105.3830	0.000	1	105.3830	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5590	0.000	1	108.5590	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6160	0.000	1	108.7615	0.042	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9070	0.000	1	108.7615	0.042	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HI)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|I<1>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.6773	0.178	3	107.6773	0.032	3	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.6930	0.000	1	109.6930	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7460	0.000	2	108.9255	0.043	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1050	0.000	2	108.9255	0.043	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[5a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|S<2>,3|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.3570	0.000	1	108.3570	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9210	0.000	1	108.9210	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.7563	0.794	3	108.7322	0.423	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]B[6])(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|B<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6600	0.000	1	108.7322	0.423	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[3x6])(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8830	0.103	2	108.8830	0.011	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[5,6])(H){2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1760	0.000	1	108.1760	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3010	0.000	1	109.3010	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0170	0.000	1	108.0892	0.560	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	107.1840	0.000	1	108.0892	0.560	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.0780	0.014	2	108.0892	0.560	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(O[6]O[6])(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	110.2890	0.301	2	110.2890	0.091	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(O[6]C[6,6])(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.5452	0.532	6	108.5452	0.283	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(C[6]C[6a]C[6]O[6])	108.3460	0.000	1	108.3460	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.9262	0.248	5	106.9135	0.050	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.8500	0.000	1	106.9135	0.050	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.5113	0.569	3	108.8742	0.438	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,7|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4430	0.707	2	108.8742	0.438	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){4|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8250	0.000	1	108.8742	0.438	6	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4520	0.000	1	109.4520	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	110.0180	0.000	1	110.0180	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(O[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.1330	0.160	2	109.1330	0.026	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.4990	0.000	1	109.4990	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	109.0000	0.352	2	109.0000	0.124	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.6415	1.084	2	108.6415	1.175	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6,6a])(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|Se<2>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.9960	0.000	1	108.9960	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<2>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.4320	0.000	1	107.4320	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(O[6]C[6])(H){5|C<3>,6|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]O[6])	104.3120	0.000	1	104.3120	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]F)(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	107.7770	0.000	1	107.7770	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	109.0880	0.000	1	108.2155	1.078	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	106.7530	0.000	1	108.2155	1.078	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]O[6])	108.7940	0.000	1	108.2155	1.078	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]O[6])	108.2270	0.000	1	108.2155	1.078	4	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6,6a])(H){3|H<1>,6|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	108.1440	0.000	1	108.1440	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	107.8170	0.000	1	107.8170	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]O[6])	111.7570	0.000	1	111.7570	0.000	1	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){1|N<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	108.8780	0.000	1	109.1340	0.131	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]O[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(O[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]O[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]O[6])	109.3900	0.000	1	109.1340	0.131	2	108.4816	1.278	70	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.5575	0.261	2	108.5575	0.068	2	108.4200	0.091	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	C[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(S[6]C[6])(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.1450	0.000	1	108.1450	0.000	1	108.4200	0.091	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	N[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H)	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6]C[6a]N[6]O[6])	C[6](N[6]C[6,6a]RuH)(C[6a]C[6a]2)(O[6]C[6])(H){1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|Ru<8>,1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]O[6])	109.2850	0.000	1	109.2850	0.000	1	109.2850	0.000	1	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]P[6])	109.7280	0.000	1	109.7280	0.000	1	108.0863	10.388	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){1|C<4>,4|H<1>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]P[6])	104.3730	0.000	1	107.2655	16.733	2	108.0863	10.388	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]O[6]P[6])	C[6](P[6]C[6a]2C[6])(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2{1|B<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6a]O[6]P[6])	110.1580	0.000	1	107.2655	16.733	2	108.0863	10.388	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H)	H(C[6]C[6a]Se[6]P[6])	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]H){1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	H(C[6]C[6a]Se[6]P[6])	107.8390	0.000	1	107.8390	0.000	1	107.8103	0.312	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]Se[6]P[6])	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Se<1>,1|Se<2>,1|P<4>,2|C<3>,2|H<1>}	H(C[6]C[6a]Se[6]P[6])	108.3540	0.000	1	108.3540	0.000	1	107.8103	0.312	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H)	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]Se[6]P[6])	C[6](P[6]C[6a]Se[6]Se)(C[6a]C[6a]2)(Se[6]P[6])(H){1|Se<1>,1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]Se[6]P[6]H)(C[6a]C[6a]H)2{1|Se<1>,1|Se<2>,1|H<1>,1|O<2>,1|P<4>,2|C<3>}	H(C[6]C[6a]Se[6]P[6])	107.2380	0.000	1	107.2380	0.000	1	107.8103	0.312	3	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:2:1:	4:3:3:	4:	Si[6]-4:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H)	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]Si[6]S[6])	C[6](Si[6]C[6,6a]CC)(C[6a]C[6a]2)(S[6]C[6])(H){4|C<3>,4|H<1>}	C[6a](C[6]Si[6]S[6]H)(C[6a]C[6a]H)2{2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]Si[6]S[6])	108.0075	0.264	2	108.0075	0.070	2	108.0075	0.070	2	108.2471	1.511	201	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){11|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|H<1>,6|C<3>}	H(C[6]C[6a]C[6]2)	106.2330	0.443	3	106.2330	0.196	3	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4050	0.000	1	107.4050	0.000	1	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)(H){3|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.0747	0.278	4	107.0747	0.077	4	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.6200	0.246	2	108.6200	0.061	2	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6]N[5,6]O)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.8895	0.080	2	105.8895	0.006	2	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]S)(C[6]C[5,6]N)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|S<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|S<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.1920	0.000	1	107.1920	0.000	1	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.1290	0.000	1	108.1290	0.000	1	107.0531	0.895	14	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2550	0.000	1	108.2550	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.5150	0.000	1	107.5150	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4890	0.000	1	107.4890	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]HH)(C[6a]C[6a]2)(C[6]C[6]S)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.7580	0.000	1	106.7580	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3850	0.000	1	107.3850	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4120	0.000	1	106.4120	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.8570	0.000	1	105.8570	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.3410	0.000	1	105.3410	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.7650	0.000	1	108.0425	1.044	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3200	0.000	1	108.0425	1.044	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.1740	0.000	1	106.1740	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3740	0.000	1	106.4623	0.694	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.0065	0.375	2	106.4623	0.694	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7410	0.000	1	107.7410	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.1060	0.000	1	109.1060	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.8310	0.162	3	107.8310	0.026	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	108.2440	0.000	1	108.2440	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6750	0.000	1	107.6750	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6090	0.000	1	106.6090	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8970	0.000	1	105.9405	1.830	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	104.9840	0.000	1	105.9405	1.830	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4095	0.093	2	107.0900	0.311	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.4510	0.000	1	107.0900	0.311	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Br<1>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.3560	0.000	1	107.3560	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.7890	0.000	1	107.7890	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2420	0.225	2	107.4857	0.203	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.9730	0.000	1	107.4857	0.203	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.2410	0.750	2	107.3163	0.298	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	107.4670	0.000	1	107.3163	0.298	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.7140	0.960	2	106.7140	0.922	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]C)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	112.9950	3.603	2	112.9950	12.985	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]C[6]N)(H){1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8560	0.000	1	106.8560	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	104.6890	0.000	1	104.6890	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]2)	105.9580	0.000	1	105.9580	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.6320	0.000	1	105.6320	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8775	0.902	2	106.8775	0.813	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8100	0.081	2	106.6167	0.161	4	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]H)(H){3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4235	0.571	2	106.6167	0.161	4	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.7935	1.194	2	106.7935	1.426	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5a]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6110	0.000	1	106.6110	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.5000	0.014	2	107.5000	0.000	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|H<1>,3|C<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2660	0.000	1	107.2660	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.5260	1.061	6	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|P<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7360	0.000	1	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.1400	0.448	5	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.7430	0.000	1	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5160	0.132	2	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.8840	0.000	1	108.1407	0.567	16	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0670	0.000	1	107.0670	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.9990	0.000	1	105.5380	0.425	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|H<1>,7|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.0770	0.000	1	105.5380	0.425	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2730	1.462	3	107.2730	2.138	3	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	105.5600	0.000	1	106.6899	0.683	10	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8154	0.769	9	106.6899	0.683	10	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.8680	0.000	1	107.8925	2.099	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]N)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	108.9170	0.000	1	107.8925	2.099	2	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8766	0.553	10	106.8345	0.230	14	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.8490	0.337	2	106.8345	0.230	14	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.6095	0.026	2	106.8345	0.230	14	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.3090	0.000	1	108.3090	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.2820	0.000	1	107.2820	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]P[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|P<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8000	0.000	1	106.8000	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0780	0.000	1	107.0780	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6820	0.000	1	107.6820	0.000	1	107.2518	1.646	108	107.2290	1.556	122	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	3:4:2:	4:	C[6]-4:C[6a]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H)	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a])	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5x3,5x5,21x6]HH)(C[6a]C[6a]N[6a])(C[6]C[6]C)(H){1|C<6>,1|H<1>,3|C<3>,4|B<6>}	C[6a](C[6a]C[6a]H)(C[6]C[6]2H)(N[6a]C[6a]){1|C<4>,1|C<6>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.5490	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[4x6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:O[6a]-2:	C[6]-4:	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H)	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a])	H(C[6]C[5a,6]C[4x6]C[6a])	C[6](C[4x6]C[3x6]C[6,6]N[6,6])(C[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]O[6a])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,2|N<3>,5|C<3>}	C[6a](C[6]C[5a,6]C[4x6]H)(C[6a]C[6a]O)(O[6a]C[6a]){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[4x6]C[6a])	107.9130	0.000	1	107.9130	0.000	1	107.9130	0.000	1	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.6790	0.000	1	108.6790	0.000	1	108.6790	0.000	1	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5,6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[5,6]C)(H){1|C<4>,1|O<2>,2|N<3>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.2400	0.000	1	106.2400	0.000	1	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.8370	0.065	2	107.8370	0.004	2	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.2365	0.665	2	107.2365	0.443	2	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.8845	0.234	2	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|S<2>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.4725	0.030	2	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	108.1620	0.000	1	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.7548	1.832	6	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.5325	0.282	2	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.1615	2.227	2	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<3>,2|H<1>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.2090	0.738	2	107.1301	1.652	17	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:2:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a])	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]N[6a])(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]N[6a]H)(N[6a]C[6a]){1|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.2185	0.453	2	107.2185	0.205	2	107.1681	1.255	24	107.2549	1.261	26	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	B[6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H)	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2	H(C[6]C[6a]B[6]C[6])	C[6](B[6]C[6a]2O[6])(C[6a]C[6a]2)(C[6]O[6]C)(H){2|F<1>,7|C<3>}	C[6a](C[6]B[6]C[6]H)(C[6a]C[6a]F)2{2|F<1>,2|O<2>,4|C<3>}	H(C[6]C[6a]B[6]C[6])	105.9585	0.415	2	105.9585	0.172	2	105.9585	0.172	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<2>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6,6]C[6a])	107.6520	0.000	1	107.5203	0.022	3	107.5203	0.022	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[3,6]C[6,6]C[6a])	107.3600	0.000	1	107.5203	0.022	3	107.5203	0.022	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6,6]C[6a])	C[6](C[3,6]C[3,6]N[3]C)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[3,6]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[3,6]C[6,6]C[6a])	107.5490	0.000	1	107.5203	0.022	3	107.5203	0.022	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]N[3,6]C[3]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[3,6]C[6a]C[6])	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6a]N[6])	C[6](C[3,6]C[6,6a]C[3]2)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,4|C<3>,6|H<1>}	C[6a](C[6]C[3,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[3,6]C[6a]N[6])	107.0435	0.244	2	107.0435	0.060	2	107.0435	0.060	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[3x6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[3x6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[3x6]C[6a]N[6])	C[6](C[3x6]C[4x6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[3x6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[3x6]C[6a]N[6])	108.3730	0.366	2	108.3730	0.134	2	108.3730	0.134	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[4,5,6]C[5,6]C[6a])	C[6](C[4,5,6]C[4,5,6]C[4]O[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,5|C<3>,6|H<1>}	C[6a](C[6]C[4,5,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[4,5,6]C[5,6]C[6a])	106.4570	0.000	1	106.4570	0.000	1	106.4570	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]C)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[4,6]C[6a]C[6])	106.8675	0.395	2	106.8675	0.156	2	106.8675	0.156	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[4,6]C[6a]N[6])	C[6](C[4,6]C[4,6a]C[4,6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[4,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[4,6]C[6a]N[6])	107.5470	0.000	1	107.5470	0.000	1	107.5470	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,5,6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,5,6,6]C[6,6a]C[6a])	C[6](C[5,5,6,6]C[5,5,6,6]C[5,5,6]C[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|O<1>,2|O<2>,3|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,5,6,6]C[6,6a]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,5,6,6]C[6,6a]C[6a])	108.8980	0.000	1	108.8980	0.000	1	108.8980	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6,6]C[6a]N[6])	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6,6]C[6a]N[6])	108.1360	0.000	1	108.1360	0.000	1	108.1360	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|P<3>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{1|P<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.9730	0.000	1	105.9730	0.000	1	106.9660	0.887	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,7|H<1>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]2C[6a])	107.8460	0.000	1	107.8460	0.000	1	106.9660	0.887	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,8|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,6|C<3>}	H(C[6]C[5,6]2C[6a])	107.0790	0.000	1	107.0790	0.000	1	106.9660	0.887	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5a,6]C[5,6]C[6a])	C[6](C[5,6]C[5,6a]O[5,6]C[6a])(C[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,2|H<1>,7|C<3>}	C[6a](C[6]C[5a,6]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[5,6]C[6a])	107.4180	1.129	2	107.4180	1.274	2	107.4180	1.274	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.6180	0.330	3	107.6180	0.109	3	107.5245	0.107	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[5,6]C[6a])	C[6](C[5,6]C[5,6,6a]C[6a]O[5])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]H)(C[6a]C[6a]H)2{1|O<2>,2|H<1>,5|C<3>}	H(C[6]C[6,6a]C[5,6]C[6a])	107.2440	0.000	1	107.2440	0.000	1	107.5245	0.107	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|O<2>,3|C<3>,3|H<1>,3|N<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0080	0.000	1	107.0080	0.000	1	106.2538	0.354	6	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.2167	0.699	3	106.2167	0.489	3	106.2538	0.354	6	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.8630	0.000	1	105.8630	0.000	1	106.2538	0.354	6	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.0020	0.000	1	106.0020	0.000	1	106.2538	0.354	6	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.2250	0.000	1	108.2250	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.3817	0.389	3	105.3817	0.151	3	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Si<4>,1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.3440	0.000	1	105.3440	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7190	0.460	2	106.7985	0.079	4	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8520	0.000	1	106.7985	0.079	4	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9040	0.000	1	106.7985	0.079	4	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.6840	0.472	2	107.6840	0.223	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.5430	0.211	2	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.6960	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.1530	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0270	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8920	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.1865	0.019	2	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5593	0.422	13	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5780	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.2510	0.000	1	106.5794	0.382	23	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.5270	0.000	1	108.5270	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]N[6]Cl)(H){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8700	0.000	1	107.8700	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.2820	0.000	1	106.2820	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<2>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.8680	0.000	1	107.8680	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.3670	0.225	2	107.3670	0.051	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]B[6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<3>,3|H<1>,8|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|B<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9320	0.202	2	105.9320	0.041	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.2090	0.000	1	107.5020	0.151	5	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.5752	0.408	4	107.5020	0.151	5	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]I){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.8820	0.000	1	105.8820	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	104.9620	0.000	1	104.9620	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|H<1>,3|N<3>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7030	0.000	1	106.7030	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.6020	0.355	2	106.6020	0.126	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]O[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	108.1330	0.000	1	108.1330	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,2|H<1>,2|O<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9240	0.000	1	106.9240	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9675	0.176	2	106.9675	0.031	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Br<1>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8620	0.000	1	106.8620	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8065	0.049	2	106.8065	0.002	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.9110	0.322	2	105.9110	0.104	2	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.3140	0.000	1	107.3140	0.000	1	106.7357	0.670	62	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	106.9600	0.000	1	106.9600	0.000	1	107.2331	0.486	7	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.6050	0.000	1	107.6050	0.000	1	107.2331	0.486	7	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[5,6]C[6a]N[6])	107.9315	0.302	2	107.9315	0.091	2	107.2331	0.486	7	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<3>,3|C<4>,8|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.1190	0.047	2	107.1190	0.002	2	107.2331	0.486	7	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]2)(N[6]C[6]S)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5,6]C[6a]N[6])	105.9660	0.000	1	105.9660	0.000	1	107.2331	0.486	7	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]N[5,6]C[6a])	C[6](C[5,6]C[5,6]N[5]H)(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){3|C<3>,4|C<4>,7|H<1>}	C[6a](C[6]C[5,6]N[5,6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]N[5,6]C[6a])	108.9710	0.000	1	108.9710	0.000	1	108.9710	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	106.1620	0.000	1	106.1620	0.000	1	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|Br<1>,4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.5835	0.037	2	108.5835	0.001	2	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.5020	0.178	2	108.5020	0.032	2	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.2148	0.598	13	108.2023	0.337	16	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[5]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]N[6])	108.1477	0.613	3	108.2023	0.337	16	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.4340	0.000	1	107.2985	0.037	2	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5,6]C[6a]O[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]N[6])	107.1630	0.000	1	107.2985	0.037	2	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[5a,6]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	107.4120	0.000	1	107.4120	0.000	1	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6]C[6a])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<2>,2|O<1>,3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	108.0360	0.000	1	108.0360	0.000	1	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]2C[6])(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.7550	0.000	1	106.7550	0.000	1	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]N[6])	C[6](C[5,6]C[5]C[6]N[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]N[6])	106.7600	0.000	1	106.7600	0.000	1	107.9677	0.567	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	108.7610	0.000	1	108.7610	0.000	1	108.0828	0.359	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	108.0810	0.402	2	108.0810	0.161	2	108.0828	0.359	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]S[6]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	107.4080	0.000	1	107.4080	0.000	1	108.0828	0.359	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2C[6a])	106.6555	0.080	2	106.6555	0.006	2	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|Cl<1>,1|H<1>,2|C<3>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	106.3080	0.000	1	106.3080	0.000	1	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|H<1>,2|C<3>,2|O<1>,3|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	106.2735	0.230	2	106.2735	0.053	2	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2C[6a])	107.2900	0.000	1	107.8807	0.460	7	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]2C[6a])	106.7800	0.000	1	107.8807	0.460	7	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,3|C<4>,3|H<1>}	H(C[6]C[6,6]2C[6a])	108.1960	0.000	1	107.8807	0.460	7	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	108.0810	0.000	1	107.8807	0.460	7	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|O<1>,2|O<2>,4|C<4>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]2C[6a])	108.2727	0.546	3	107.8807	0.460	7	107.2776	0.827	12	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,7|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	106.5720	0.010	2	106.5720	0.000	2	106.7850	0.136	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6a]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]C[6,6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6a]C[6,6]C[6a])	107.2110	0.000	1	107.2110	0.000	1	106.7850	0.136	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.4580	0.000	1	107.0833	0.333	3	107.1653	0.249	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[5,6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3960	0.283	2	107.0833	0.333	3	107.1653	0.249	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]S[6]H)(C[6]C[6,6]C)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.4110	0.000	1	107.4110	0.000	1	107.1653	0.249	4	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.6140	0.000	1	105.6140	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5a,6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4900	0.000	1	107.4900	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.9270	0.000	1	106.9270	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.2720	0.000	1	107.2720	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|B<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6265	0.927	2	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.1270	0.231	2	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5410	0.836	2	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.9260	0.000	1	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.4555	1.295	6	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.8375	0.158	2	107.5949	1.851	15	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.3420	0.000	1	105.3420	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|C<4>,1|N<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2120	0.000	1	106.6993	0.205	3	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)(H){1|S<4>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.4430	0.126	2	106.6993	0.205	3	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]O[6]O)(H){1|C<4>,1|I<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2200	0.000	1	107.2200	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5070	0.000	1	107.5070	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]O)(C[6a]C[6a]2)(C[6]C[6]H)(H){2|C<3>,3|C<4>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5730	0.000	1	105.5730	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|C<4>,2|O<1>,2|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	105.8950	0.000	1	106.7345	1.410	2	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	107.5740	0.000	1	106.7345	1.410	2	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]S)(H){1|O<2>,2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.4560	0.000	1	106.4560	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.8020	0.000	1	106.8020	0.000	1	107.1231	1.402	30	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6,6]C[6a]N[6])	108.0992	0.492	5	108.0992	0.242	5	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.7160	0.000	1	107.7160	0.000	1	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8890	0.000	1	107.8890	0.000	1	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.4826	0.218	5	107.4826	0.048	5	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	107.6245	0.889	2	107.6245	0.790	2	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.9180	0.327	2	107.9180	0.107	2	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|S<2>,4|C<3>,6|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	105.8080	0.279	4	105.8800	1.321	10	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,3|H<1>,4|C<4>}	H(C[6]C[6,6]C[6a]N[6])	106.2125	2.763	2	105.8800	1.321	10	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	105.7858	1.117	4	105.8800	1.321	10	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Br<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.2673	0.343	4	108.2673	0.117	4	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0350	0.209	2	108.0350	0.044	2	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|Cl<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1875	0.340	2	108.1875	0.116	2	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]F)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.5623	0.245	3	108.5623	0.060	3	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	106.5597	0.236	4	107.8084	0.814	14	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	109.2130	0.000	1	107.8084	0.814	14	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.2073	0.312	9	107.8084	0.814	14	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.3748	1.202	4	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.7789	0.713	7	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1322	0.192	4	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.5110	0.000	1	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8715	0.035	2	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.9510	0.000	1	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1735	0.118	2	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.8780	0.243	11	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,3|N<3>,4|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.3120	1.222	2	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1050	0.035	2	108.1257	0.439	36	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|N<2>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.1570	0.000	1	107.1570	0.000	1	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.0920	0.000	1	108.0920	0.000	1	107.7718	0.974	89	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[5a,6]N[6,6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	109.1420	0.000	1	109.1420	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|Cl<1>,1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.9270	0.000	1	107.9270	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a,6a]H)(C[6a]C[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.4215	0.643	2	108.4215	0.413	2	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.8160	0.025	2	108.8160	0.001	2	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.6122	0.411	9	108.4635	0.333	11	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.4610	0.000	1	108.4635	0.333	11	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.1270	0.000	1	108.4635	0.333	11	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.1190	0.000	1	108.1190	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6]C[6]N)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.0620	0.000	1	107.0620	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.4050	0.000	1	106.9497	0.179	3	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	106.7220	0.218	2	106.9497	0.179	3	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(N[6]C[6,6a]S)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	107.5230	0.000	1	107.5230	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]C[6]2O[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]N[6])	108.5960	0.000	1	108.5960	0.000	1	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]N[6])	C[6](C[6,6]N[6,6]C[6]H)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[6,6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]N[6])	107.8210	0.346	3	107.8210	0.120	3	108.1576	0.535	27	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8240	0.000	1	106.8240	0.000	1	106.8197	0.001	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[6]C[5,6]C[6a]H)(C[5,6]P[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|P<3>,2|H<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|P<3>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8175	0.052	2	106.8175	0.003	2	106.8197	0.001	3	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){2|C<4>,2|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	109.4190	0.000	1	109.4190	0.000	1	109.4190	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	110.9040	0.000	1	109.6935	2.931	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|Br<1>,1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4830	0.000	1	109.6935	2.931	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9370	0.000	1	108.9370	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9810	0.000	1	108.9810	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|S<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8960	0.000	1	107.8960	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0700	0.000	1	107.0700	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.3473	0.563	3	107.3473	0.317	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|S<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	107.2067	0.329	3	107.2067	0.108	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,1|S<4>,2|C<3>,2|C<4>,2|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0920	0.000	1	107.0920	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9647	0.925	3	106.9647	0.856	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4065	0.316	2	107.4065	0.100	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2450	0.146	2	107.6257	0.229	6	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8160	0.480	4	107.6257	0.229	6	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|N<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8020	0.000	1	107.8020	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2750	0.000	1	107.7150	0.190	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9350	0.300	2	107.7150	0.190	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6350	0.000	1	107.6350	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5770	0.000	1	106.5770	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(N[6]S[6]H)(H){2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<1>,1|S<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.2350	0.000	1	107.2350	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]F)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6590	0.296	2	107.6590	0.087	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,1|S<4>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0360	0.000	1	108.4230	0.122	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(N[6]C[6]S)(H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.6165	0.136	2	108.4230	0.122	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]ClC)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4967	0.067	3	107.4967	0.005	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|Mo<7>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4980	0.000	1	107.4980	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	108.0200	0.467	2	108.0200	0.218	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9515	0.523	2	108.9515	0.273	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.9470	0.000	1	106.9470	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.4835	0.614	2	107.4835	0.378	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.1775	0.429	2	107.1775	0.184	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]N)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.8010	0.403	4	106.8010	0.162	4	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|P<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]P){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1870	0.000	1	108.1870	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){3|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.5555	0.057	2	108.5555	0.003	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]C)(H){1|Pd<4>,2|H<1>,3|C<4>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]Pd)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7490	0.000	1	107.7490	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6,6]H)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3700	0.000	1	109.3700	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3580	0.963	2	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9227	0.106	3	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.9070	0.000	1	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0970	0.000	1	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.5270	0.000	1	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7905	2.443	4	108.0147	2.364	12	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.1650	0.192	2	108.7477	0.541	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9130	0.000	1	108.7477	0.541	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.0000	0.000	1	107.0000	0.000	1	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(N[6]C[6]S)(H){4|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,2|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.3450	0.288	2	107.3450	0.083	2	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	107.0280	0.000	1	106.7740	0.101	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(N[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.6470	0.325	2	106.7740	0.101	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]HH)(C[6a]C[6a]2)(N[6]C[6]S)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|S<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.9467	0.066	3	107.9467	0.004	3	107.7507	0.920	82	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:C[6a]-3:P[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(P[6]C[6]Fe)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(P[6]C[6]Fe)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Fe<10>,1|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]P[6])	109.0865	2.618	2	109.0865	6.856	2	109.0865	6.856	2	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]N[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]C[6a]H)(N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,3|H<1>}	H(C[6]N[6,6]C[6a]C[6])	107.6240	0.000	1	107.6240	0.000	1	107.6240	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]B[5]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|B<3>,1|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	107.7860	0.000	1	107.7860	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6a]CF)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|F<1>,2|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	106.3360	0.000	1	106.3360	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{3|H<1>,5|C<3>}	H(C[6]C[6a]C[6]N[6])	107.1380	0.000	1	107.1380	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]C[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){3|H<1>,7|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	109.3390	0.000	1	109.3390	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]C)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8380	0.000	1	106.8380	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6]C[6a]C[6]N[6])	109.0690	0.000	1	109.0710	0.129	11	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	109.1591	0.372	8	109.0710	0.129	11	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.7195	0.101	2	109.0710	0.129	11	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|N<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.6840	0.000	1	107.6840	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,2|O<2>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]O)2{1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	110.2735	0.332	2	110.2735	0.110	2	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.9440	0.000	2	106.2920	0.567	4	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]C)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	105.6400	0.000	2	106.2920	0.567	4	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]O[6]H)(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8320	0.000	1	107.8320	0.000	1	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]N[5a,6]CH)(N[6]C[6a]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]N[6])	106.8150	0.320	2	106.8150	0.102	2	108.1569	1.873	26	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:3:1:	4:3:3:	4:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H)	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]N[6]P[6])	C[6](P[6]C[6a]O[6]O)(C[6a]C[6a]2)(N[6]C[6]H)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]N[6]P[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6a]N[6]P[6])	109.8960	0.000	1	109.8960	0.000	1	109.8960	0.000	1	107.5518	1.136	414	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3x6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3710	0.479	2	107.3710	0.230	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.1940	0.000	1	109.1940	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6a]C[6a]2)(C[6]C[6]HS)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|S<4>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4810	0.000	1	107.4810	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|H<1>,2|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0240	0.000	1	107.0240	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3720	0.000	1	107.3720	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4480	0.000	1	107.3665	0.668	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.3393	0.999	3	107.3665	0.668	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6180	0.000	1	106.2770	1.911	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	104.7560	0.000	1	106.2770	1.911	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4570	0.000	1	106.2770	1.911	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6550	0.000	1	106.6550	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.8820	0.000	1	107.1364	0.155	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.7430	0.000	1	107.1364	0.155	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.8780	0.164	2	107.1364	0.155	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3010	0.000	1	107.1364	0.155	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.7680	0.000	1	108.7680	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.3420	0.000	1	108.3420	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4065	1.428	2	107.9343	1.055	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.4620	0.109	2	107.9343	1.055	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	109.5223	0.034	3	109.5223	0.001	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HN)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.3260	1.976	2	108.3260	3.903	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.0717	0.214	3	107.1598	0.062	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|P<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4240	0.000	1	107.1598	0.062	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[6a]C[6]2)	109.5040	0.000	1	109.5040	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|H<1>,5|C<3>}	H(C[6]C[6a]C[6]2)	108.1240	0.140	2	108.1240	0.020	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.4600	0.000	1	105.7890	0.216	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.1180	0.000	1	105.7890	0.216	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.1660	0.000	1	106.1660	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,2|C<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8300	0.000	1	106.8300	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.1465	0.250	2	108.1465	0.062	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.7640	1.452	2	106.9800	1.195	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4120	0.000	1	106.9800	1.195	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.8550	0.000	1	106.8550	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.1280	0.000	1	108.1280	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.3690	0.000	1	105.3690	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.5550	0.000	1	107.0530	4.512	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]CH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.5510	0.000	1	107.0530	4.512	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.1940	0.000	1	106.5545	0.260	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9150	0.000	1	106.5545	0.260	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|Br<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.2690	0.000	1	108.2690	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7980	0.000	1	107.8387	0.003	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.8590	0.052	2	107.8387	0.003	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.3300	0.000	1	106.0206	10.589	7	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.5177	0.525	3	106.0206	10.589	7	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	108.0170	0.000	1	106.0206	10.589	7	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){3|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	102.1221	4.490	2	106.0206	10.589	7	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9790	0.354	2	108.5510	1.044	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HN)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	109.6950	0.000	1	108.5510	1.044	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.1820	0.000	1	107.2035	0.001	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.2250	0.000	1	107.2035	0.001	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.8150	1.177	2	107.8150	1.384	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]CH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9630	0.000	1	107.9630	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.8150	0.000	1	107.8150	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6420	0.000	1	107.4715	0.682	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,3|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9130	0.706	2	107.4715	0.682	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.4180	0.000	1	107.4715	0.682	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2545	0.418	2	107.2545	0.175	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9800	0.000	1	107.9410	0.003	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<2>,2|C<3>,3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9020	0.000	1	107.9410	0.003	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,2|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9780	0.201	2	106.9780	0.040	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.5980	0.561	2	106.5980	0.315	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){4|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6300	0.000	1	107.3037	0.405	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.8940	0.000	1	107.3037	0.405	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.3870	0.000	1	107.3037	0.405	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6410	0.000	1	106.6410	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|S<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.2170	0.000	1	107.2170	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]HO)(H){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.6320	0.000	1	108.6320	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]HO)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7750	0.000	1	107.7750	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4250	0.000	1	107.4250	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4930	0.208	2	107.4930	0.043	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]CH)(H){1|C<4>,2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2150	0.000	1	106.2150	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CC)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.1500	0.000	1	105.1500	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.1370	0.000	1	106.1370	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.9875	0.098	2	107.2598	2.691	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.9955	0.217	2	107.2598	2.691	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	104.3330	0.000	1	107.2598	2.691	5	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|H<1>,1|O<2>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.2520	0.004	2	107.2520	0.000	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.7795	0.121	2	107.7795	0.015	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|N<3>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.5360	0.000	1	107.5360	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.6680	0.000	1	106.5590	0.024	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]C[6]CH)(H){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4500	0.000	1	106.5590	0.024	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(C[6]O[6]FF)(H){1|H<1>,1|N<3>,4|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(C[6]C[6]2H){2|C<3>,2|F<1>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]2)	106.2810	0.000	1	106.2810	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	108.2630	0.000	1	108.2630	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]BrH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.1015	0.251	2	106.1015	0.063	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]HW)(H){2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Cl<1>,1|C<3>,1|W<7>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.9480	0.000	1	105.9480	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]FeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(C[6]C[6]2H){1|Fe<7>,1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.8470	0.710	2	106.8470	0.504	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6]SeH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C[6a](C[6a]C[6a]O)2(C[6]C[6]2H){1|Se<2>,1|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.3220	0.000	1	106.3220	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.6280	0.000	1	105.6280	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	106.4000	0.000	1	106.4000	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7460	0.000	1	106.7435	2.010	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	105.7410	0.000	1	106.7435	2.010	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.4195	0.159	2	107.4195	0.025	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.1420	0.000	1	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.5480	0.000	1	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7455	0.385	2	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6173	1.214	3	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8670	0.000	1	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.6940	0.000	1	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){5|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7565	0.218	2	107.4643	0.626	11	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.5060	0.000	1	107.4567	0.834	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.9320	0.129	2	107.4567	0.834	3	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.7240	0.000	1	107.7240	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]HO)(H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.0950	0.605	2	107.0950	0.366	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0340	0.000	1	107.9195	0.029	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	108.0950	0.000	1	107.9195	0.029	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7800	0.000	1	107.9195	0.029	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]CH)(H){3|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7690	0.000	1	107.9195	0.029	4	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.7075	0.346	2	107.7075	0.120	2	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.0780	0.000	1	106.0780	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	115.9980	0.000	1	115.9980	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,3|O<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2620	0.000	1	107.2620	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.7110	0.000	1	105.7110	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5]O[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|S<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6270	0.000	1	106.6270	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a,6]CH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	107.2000	0.000	1	107.2000	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[5a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|N<3>,1|O<2>,4|C<3>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	H(C[6]C[6a]C[6]2)	107.0480	0.000	1	107.0480	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	3:3:4:	4:	C[6]-4:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]N[6,6]CC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,2|C<2>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6970	0.000	1	107.6970	0.000	1	107.3315	1.887	155	107.3315	1.887	155	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]CH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5,6]C[6a]C[6])	105.5040	0.000	1	105.5040	0.000	1	107.0049	0.557	8	107.0049	0.557	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.2853	0.346	3	107.2193	0.221	7	107.0049	0.557	8	107.0049	0.557	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.2890	0.000	1	107.2193	0.221	7	107.0049	0.557	8	107.0049	0.557	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.4115	0.112	2	107.2193	0.221	7	107.0049	0.557	8	107.0049	0.557	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:2:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]O[5])(C[6a]C[6a]N[6a])(C[6]C[6]HH)(H){2|C<4>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(N[6a]C[6a]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.5670	0.000	1	107.2193	0.221	7	107.0049	0.557	8	107.0049	0.557	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[3,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[3,6]C[6a]C[6])	106.6800	0.000	1	106.6800	0.000	1	106.6800	0.000	1	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[4,6]C[6a]C[6])	107.0720	0.000	1	107.0720	0.000	1	107.3205	0.124	2	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[4,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]N[4,6]C[4]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6a]C[6])	107.5690	0.000	1	107.5690	0.000	1	107.3205	0.124	2	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[5,5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,5,6]C[6a]C[6])	C[6](C[5,5,6]C[5,6a]C[5,5]C[5,6])(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|N<3>,1|S<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[5,5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,5,6]C[6a]C[6])	106.6820	0.696	2	106.6820	0.484	2	106.6820	0.484	2	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,5]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.9550	0.000	1	107.9550	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8590	0.000	1	106.8590	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Cl<1>,1|C<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4750	0.000	1	106.4750	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]N){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.7947	0.026	3	105.7947	0.001	3	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	104.5077	1.540	3	104.5077	2.372	3	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.1020	0.000	1	106.7185	0.760	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|O<2>,4|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.3350	0.000	1	106.7185	0.760	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]C)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.5730	0.000	1	105.5730	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7520	0.000	1	106.5555	0.077	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.3590	0.000	1	106.5555	0.077	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	108.2580	0.000	1	108.2580	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0460	0.000	1	107.0460	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8040	0.000	1	107.8040	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]O[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<3>,3|H<1>,4|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9310	0.000	1	106.9310	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]S[5]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|S<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.6180	0.000	1	106.6180	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5,6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4855	0.261	2	106.4855	0.068	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|N<3>,1|O<2>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.8540	0.000	1	105.8540	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.3915	0.315	2	106.3915	0.099	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<2>,1|N<3>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8460	0.000	1	106.5584	0.203	9	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.2400	0.000	1	106.5584	0.203	9	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7115	1.019	2	106.5584	0.203	9	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5190	0.000	1	106.5584	0.203	9	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4995	0.338	4	106.5584	0.203	9	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]S[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8735	0.221	2	106.8735	0.049	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.9685	0.156	2	105.9685	0.024	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,2|O<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4350	0.238	4	106.3770	0.059	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1450	0.000	1	106.3770	0.059	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0285	0.337	2	107.0285	0.114	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]Si[5,6]B)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Si<4>,1|B<3>,1|C<4>,2|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0170	0.000	1	107.0170	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.1550	0.000	1	106.5510	0.314	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.9470	0.000	1	106.5510	0.314	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|N<2>,1|N<3>,2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5810	0.000	1	106.5810	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.7858	0.380	4	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9620	0.324	3	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9260	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5590	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8240	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7520	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4960	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	102.5070	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4490	0.000	1	106.4673	1.377	14	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,1|O<2>,2|O<1>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.9255	0.067	2	106.9226	0.175	7	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0300	0.000	1	106.9226	0.175	7	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7200	0.523	2	106.9226	0.175	7	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<2>,1|N<3>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|N<3>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.0685	0.797	2	106.9226	0.175	7	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8410	0.174	2	106.8410	0.030	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<1>,2|N<3>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.1530	0.218	2	105.1530	0.047	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7970	0.000	1	106.2154	1.085	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4330	0.000	1	106.2154	1.085	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<2>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.5420	0.000	1	106.2154	1.085	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]C[6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.6525	1.793	2	106.2154	1.085	5	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.7280	0.000	1	107.7280	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|O<2>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.9710	0.000	1	107.9710	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]O[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.6480	0.000	1	106.6480	0.000	1	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[5,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]S[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.5775	0.155	2	107.5775	0.024	2	106.5241	0.819	83	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Cl<1>,1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Cl)(C[6a]C[6a]H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.6360	0.000	1	108.6360	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6530	0.000	1	106.6530	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[5,6]C[6]2)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.9640	0.000	1	105.9640	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]2H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.5290	0.241	3	107.5290	0.058	3	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4260	0.000	1	106.4900	1.752	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.5540	0.000	1	106.4900	1.752	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|Br<1>,1|N<3>,1|S<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,2|C<2>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.8260	0.000	1	106.8260	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|O<2>,2|C<2>,2|H<1>,3|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.5420	0.000	1	106.5420	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.4700	0.000	1	107.3843	0.104	3	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3415	0.443	2	107.3843	0.104	3	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.3210	0.000	1	106.3210	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.2060	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,2|C<3>,2|C<4>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.1360	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.9200	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,8|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.3540	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.3305	0.004	2	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1765	0.056	2	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.0950	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2130	0.000	1	106.5938	1.189	10	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|N<3>,2|C<3>,2|C<4>,7|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	108.2860	0.000	1	106.8745	3.985	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HN)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.4630	0.000	1	106.8745	3.985	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HO)(H){1|C<4>,3|C<3>,3|O<2>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.9550	0.000	1	105.9550	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HP)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,1|P<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3450	0.000	1	107.3450	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.4880	0.000	1	105.2725	0.093	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]N)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.0570	0.000	1	105.2725	0.093	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6970	0.000	1	106.6970	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]2O[6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,7|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.3310	0.000	1	106.3310	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|H<1>,3|C<4>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.2970	0.000	1	104.2970	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,2|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	104.7930	0.000	1	104.7930	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,2|N<3>,2|O<1>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2780	0.000	1	106.2780	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,7|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7410	0.000	1	106.7410	0.000	1	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|S<1>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2310	0.000	1	106.1787	0.301	7	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.2085	0.117	2	106.1787	0.301	7	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>,3|O<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	105.7950	0.344	3	106.1787	0.301	7	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|O<1>,2|O<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	106.2180	0.000	1	106.1787	0.301	7	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6a]C[6a]2)(C[6]N[6]HH)(H){1|C<4>,1|S<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]C[6])	106.6680	0.584	2	106.6680	0.341	2	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.2230	0.974	3	107.2378	0.594	5	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|O<2>,3|H<1>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7720	0.000	1	107.2378	0.594	5	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|H<1>,2|O<2>,3|C<4>,4|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,2|C<4>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7480	0.000	1	107.2378	0.594	5	106.6021	0.964	50	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6]CC)(H){1|C<4>,3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[6a]C[6]N[6])	106.7600	0.000	1	106.7600	0.000	1	107.6350	0.585	3	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6a]-3:N[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(N[6]C[6]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.0725	0.144	2	108.0725	0.021	2	107.6350	0.585	3	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(P[6]O[6]OO)(H){3|H<1>,5|C<3>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|O<1>,2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[6a]C[6]P[6])	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	C[6]-4:C[6a]-3:S[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](C[6]C[6,6]N[5]H)(C[6a]C[6a]2)(S[6]O[6]OO)(H){2|H<1>,3|C<3>,3|C<4>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{1|N<3>,1|O<2>,2|C<3>,2|O<1>,3|H<1>}	H(C[6]C[6a]C[6]S[6])	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[6,6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H)	H(C[6]N[6,6]C[6a]C[6])	C[6](N[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[6a](C[6]N[6,6]C[6]H)(C[6a]C[6a]2)(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	H(C[6]N[6,6]C[6a]C[6])	108.4640	0.000	1	108.4640	0.000	1	108.4640	0.000	1	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1040	0.000	1	108.1040	0.000	1	108.0932	0.083	8	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6]CuC)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|Cu<4>,2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	H(C[6]C[6a]C[6]N[6])	108.2250	0.173	4	108.2250	0.030	4	108.0932	0.083	8	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]N[6])	108.1210	0.000	1	108.1210	0.000	1	108.0932	0.083	8	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](N[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8105	0.510	2	107.8105	0.260	2	108.0932	0.083	8	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](P[6]C[6]2Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,3|C<3>,3|C<4>,4|H<1>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[6a]C[6]P[6])	105.4410	1.177	2	105.4410	1.384	2	106.3627	0.960	6	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	P[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]P[6])	C[6](P[6]C[6a]C[6]Pt)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,1|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]P[6])	106.8235	0.537	4	106.8235	0.288	4	106.3627	0.960	6	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:3:4:1:	4:3:3:	4:	S[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]S[6])	C[6](S[6]C[6,6a]OO)(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]S[6]H)(C[6a]C[6a]H)2{2|O<1>,3|C<3>,4|H<1>}	H(C[6]C[6a]C[6]S[6])	108.0620	0.098	2	108.0620	0.010	2	108.0620	0.010	2	106.6922	0.951	160	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[3,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.1930	0.000	1	106.1930	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(C[6]C[6]2H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.4830	0.000	1	106.4830	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,2|C<2>,2|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.2640	0.000	1	107.2640	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.8950	0.198	2	106.5317	0.416	3	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]2)	105.8050	0.000	1	106.5317	0.416	3	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]CH)(C[6]C[5,6]HI)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,1|I<1>,3|C<4>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.2800	0.000	1	106.2800	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.6300	0.000	1	107.1007	0.278	3	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.8360	0.369	2	107.1007	0.278	3	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[5a]O[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|N<3>,2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.6705	0.097	2	107.6705	0.009	2	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.5330	0.000	1	107.2180	0.209	6	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.7330	0.000	1	107.2180	0.209	6	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	106.7285	0.303	2	107.2180	0.209	6	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6]HH)2(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<3>,2|C<4>,6|H<1>}	H(C[6]C[6a]C[6]2)	107.2925	0.312	2	107.2180	0.209	6	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]CH)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6a]C[6]2)	106.6620	0.000	1	106.6620	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,7|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|N<3>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.3850	0.000	1	107.3850	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	106.7390	0.000	1	106.7390	0.000	1	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|Cl<1>,1|O<2>,3|H<1>,4|C<3>}	H(C[6]C[6a]C[6]2)	107.3780	0.000	1	107.4032	0.052	4	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:3:4:	4:	C[6]-4:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H)	H(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2H){1|O<2>,4|C<3>,4|H<1>}	H(C[6]C[6a]C[6]2)	107.4117	0.278	3	107.4032	0.052	4	107.0466	0.288	25	107.0466	0.288	25	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	3:4:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5,6]N[5]H)(C[5,6]C[5,6]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,3|C<3>,4|C<4>,4|H<1>}	C[6a](C[6a]C[5,6a]H)(C[6]C[5,6]2H)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[5,6]2C[6a])	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.5240	0.000	1	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.5747	0.197	3	105.5019	0.033	8	105.5019	0.033	8	105.5019	0.033	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Cl<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.6620	0.000	1	105.5019	0.033	8	105.5019	0.033	8	105.5019	0.033	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){1|O<2>,2|C<4>,2|H<1>,2|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.5310	0.059	2	105.5019	0.033	8	105.5019	0.033	8	105.5019	0.033	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){1|Br<1>,1|H<1>,2|C<4>,2|O<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.2090	0.000	1	105.5019	0.033	8	105.5019	0.033	8	105.5019	0.033	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:2:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a])	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]O[5])2(C[6a]C[6a]N[6a])(H){2|C<4>,2|H<1>,3|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	105.3580	0.000	1	105.5019	0.033	8	105.5019	0.033	8	105.5019	0.033	8	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[3,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]2H)(C[6a]C[6a]H)2	H(C[6]C[3,6]2C[6a])	C[6](C[3,6]C[3,6]O[3]H)2(C[6a]C[6a]2)(H){1|C<4>,2|C<3>,4|H<1>}	C[6a](C[6]C[3,6]2H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	H(C[6]C[3,6]2C[6a])	107.9570	0.000	1	107.9570	0.000	1	107.9570	0.000	1	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]N[3]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|S<4>,3|H<1>,4|C<3>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[3,6]C[6a]C[6])	108.0450	0.000	1	108.0450	0.000	1	108.2910	0.121	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[3,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br)	H(C[6]C[3,6]C[6a]C[6])	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[5,6]N[5a]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6a](C[6]C[3,6]C[6]H)(C[6a]C[5,6a]H)(C[6a]C[6a]Br){1|C<3>,1|N<3>,2|C<4>,2|O<2>,3|H<1>}	H(C[6]C[3,6]C[6a]C[6])	108.5370	0.000	1	108.5370	0.000	1	108.2910	0.121	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[4,6]C[6a]C[6])	106.5327	0.333	3	106.2680	0.354	4	106.1800	0.304	5	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,5,6]C[4,6a]H)(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){2|C<4>,2|N<3>,4|H<1>,5|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[4,6]C[6a]C[6])	105.4740	0.000	1	106.2680	0.354	4	106.1800	0.304	5	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[4,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[4,6]C[6a]C[6])	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	C[6a](C[6]C[4,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[4,6]C[6a]C[6])	105.8280	0.000	1	105.8280	0.000	1	106.1800	0.304	5	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]2C[6])2(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|N<3>,3|H<1>,4|O<1>,7|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]Br)(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6]C[5,6]2C[6a])	103.9440	0.000	1	103.9440	0.000	1	104.3713	0.154	3	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2	H(C[6]C[5,6]2C[6a])	C[6](C[5,6]C[5]C[6]N[5])2(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[5,6]2H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<2>,3|C<3>}	H(C[6]C[5,6]2C[6a])	104.5850	0.185	2	104.5850	0.034	2	104.3713	0.154	3	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	104.0620	0.000	1	104.0620	0.000	1	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)(C[6a]N[6a]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.2710	0.205	2	106.2710	0.042	2	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|Cl<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	105.9220	0.000	1	106.3533	0.558	7	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.0070	0.000	1	106.3533	0.558	7	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.3210	0.000	1	106.3533	0.558	7	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.1770	0.000	1	106.3533	0.558	7	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{2|Br<1>,2|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.6820	1.158	3	106.3533	0.558	7	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H)	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(H){1|Br<1>,1|C<4>,1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]Br)(C[6a]C[6a]H){1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6,6]C[6a])	106.0070	0.000	1	106.0070	0.000	1	106.0985	0.806	11	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.6070	0.000	1	106.6070	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0770	0.000	1	107.0770	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.0430	0.000	1	106.0430	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.6580	0.000	1	105.6580	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){2|O<2>,5|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,1|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	104.3995	0.095	2	104.3995	0.009	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.4030	0.000	1	106.4030	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6a]O[6]O)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>,4|C<4>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|Ru<10>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6]C[5,6]C[6a]C[6])	105.9990	0.000	1	105.9990	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6]N[5,6]C)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<2>,1|N<2>,3|H<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<2>,1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.8040	0.000	1	107.8040	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]HH)(C[6a]C[6a]2)(H){1|O<1>,2|N<3>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	105.6195	1.722	2	105.6195	2.965	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]CH)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.8440	0.000	1	106.8440	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,2|N<3>,3|C<3>}	H(C[6]C[5,6]C[6a]C[6])	107.4540	0.000	1	107.4540	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.7890	0.000	1	106.1210	0.220	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.4530	0.000	1	106.1210	0.220	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]CH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.7010	0.064	2	106.7010	0.004	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,2|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8040	0.543	6	106.6897	0.337	7	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5,6]HH)(C[6a]C[6a]2)(H){1|N<3>,2|C<3>,3|C<4>,9|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<3>,4|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.0040	0.000	1	106.6897	0.337	7	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[5a,6]CH)(C[6a]C[6a]2)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	106.0343	0.213	3	106.0343	0.046	3	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,2|N<3>,3|C<3>,7|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{2|C<3>,3|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.0860	0.000	1	107.0860	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6]HN)(C[6a]C[6a]2)(H){1|C<4>,2|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|N<3>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5,6]C[6a]C[6])	107.1985	0.090	2	107.1985	0.008	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|H<1>,3|O<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.8940	0.000	1	105.8940	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){2|O<1>,4|H<1>,8|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[5,6]C[6a]C[6])	105.6385	0.971	2	105.6385	0.943	2	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[5,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[5,6]C[6a]C[6])	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){1|O<2>,3|H<1>,6|C<3>}	C[6a](C[6]C[5,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	H(C[6]C[5,6]C[6a]C[6])	106.8310	0.000	1	106.8310	0.000	1	106.3526	0.749	34	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[3x6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[3x6]C[6,6]C[6a])	C[6](C[6,6]C[6,6a]C[6,6]O)(C[3x6]C[3x6]C[4x6]H)(C[6a]C[6a]2)(H){3|H<1>,5|C<3>,6|C<4>}	C[6a](C[6]C[3x6]C[6,6]H)(C[6a]C[6a]H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	H(C[6]C[3x6]C[6,6]C[6a])	107.2720	0.000	1	107.2720	0.000	1	107.2720	0.000	1	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2	H(C[6]C[5,6]C[6,6]C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]2C[6])(C[6a]C[6a]2)(H){1|N<3>,1|O<2>,2|O<1>,5|H<1>,7|C<3>}	C[6a](C[6]C[5,6]C[6,6]H)(C[6a]C[6a]H)2{3|C<3>,3|C<4>,3|H<1>}	H(C[6]C[5,6]C[6,6]C[6a])	106.6007	0.382	3	106.6007	0.146	3	106.6007	0.146	3	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|N<3>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<4>,3|H<1>,5|C<3>}	H(C[6]C[6,6]2C[6a])	105.9130	0.000	1	105.9130	0.000	1	106.8790	1.866	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2	H(C[6]C[6,6]2C[6a])	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6,6]C[6]H)(C[6a]C[6a]2)(H){2|O<2>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]2H)(C[6a]C[6a]H)2{1|C<3>,1|N<3>,3|C<4>,4|H<1>}	H(C[6]C[6,6]2C[6a])	107.8450	0.000	1	107.8450	0.000	1	106.8790	1.866	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.6820	0.000	1	106.6820	0.000	1	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.3620	0.000	1	107.3620	0.000	1	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.7130	0.000	1	107.7130	0.000	1	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.5930	0.000	1	106.5930	0.000	1	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6,6]O[6]N)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|N<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.7980	0.000	1	106.7980	0.000	1	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6,6]C[6]3)(C[6]C[6]BrH)(C[6a]C[6a]2)(H){1|N<3>,4|C<3>,8|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|Br<1>,2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.0540	0.000	2	107.0540	0.000	2	107.0366	0.157	7	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]P[6])	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]H)2{1|Pt<4>,2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]P[6])	104.1030	0.000	1	104.1030	0.000	1	105.2255	2.520	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6,6]-4:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]Pt)(C[6a]C[6a]H)	H(C[6]C[6,6]C[6a]P[6])	C[6](C[6,6]C[6,6]C[6]C)(P[6]C[6]PtC)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6a](C[6]C[6,6]P[6]H)(C[6a]C[6a]Pt)(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	H(C[6]C[6,6]C[6a]P[6])	106.3480	0.000	1	106.3480	0.000	1	105.2255	2.520	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[5,6]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,3|C<3>,3|H<1>,4|O<2>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	106.1500	0.157	2	106.1500	0.025	2	105.8692	1.642	4	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2O[6])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	H(C[6]C[6,6]C[6a]C[6])	104.0740	0.000	1	104.0740	0.000	1	105.8692	1.642	4	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2	H(C[6]C[6,6]C[6a]C[6])	C[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(C[6a]C[6a]2)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[6,6]C[6]H)(C[6a]C[6a]H)2{1|C<4>,4|C<3>,4|H<1>}	H(C[6]C[6,6]C[6a]C[6])	107.1030	0.000	1	107.1030	0.000	1	105.8692	1.642	4	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O)	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6,6]C[6a]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){1|C<4>,1|N<2>,2|H<1>,2|O<2>,5|C<3>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,2|C<4>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	107.8160	0.000	1	107.8160	0.000	1	108.1095	0.172	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282
466	643	951	0:SP3_SP-NON_SP2	C[6]	C[6a]	H	4:4:3:1:	4:3:3:	4:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	H(C[6]C[6a]C[6]N[6])	C[6](C[6]C[6a]N[6]H)(N[6]C[6,6]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	H(C[6]C[6a]C[6]N[6])	108.4030	0.000	1	108.4030	0.000	1	108.1095	0.172	2	106.3878	1.082	77	107.7028	1.749	4587	108.9185	3.553	17282