466	643	778	6:SP3_SP2_SPD5	C[6]	C[6,6a]	C[3x3,3x5,13x6]	5:3:1:1:	4:3:3:	6:5:6:5:4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[3x3,4x5,12x6]-5:B[5x3,3x5,11x6]-6:C[3x3,3x5,13x6]-5: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)	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]O[5])(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(C[6]C[6,6a]HH)	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>}	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[3x3,4x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]O[5])(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(C[6]C[6,6a]HH){1|B<6>,1|N<3>,3|C<3>,7|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	112.3533	6.863	4	112.3533	6.863	4
466	643	778	6:SP3_SP2_SPD5	C[6]	C[6,6a]	C[3x3,3x5,13x6]	5:3:1:1:	4:3:3:	6:6:5:5:4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,13x6]-5: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)	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(C[6]C[6,6a]HH)	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>}	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]B[5x3,4x5,11x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(C[6]C[6,6a]HH){1|B<6>,1|N<3>,1|O<2>,2|C<3>,6|H<1>}	114.5140	0.000	1	114.5140	0.000	1	114.5140	0.000	1	113.2233	5.752	3	112.3533	6.863	4	112.3533	6.863	4
466	643	778	6:SP3_SP2_SPD5	C[6]	C[6,6a]	C[3x3,3x5,13x6]	5:3:1:1:	4:3:3:	6:6:5:5:4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,13x6]-5:B[3x3,3x5,12x6]-5: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)	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6,6a]HH)	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>}	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[6])(B[3x3,3x5,12x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6,6a]HH){1|B<6>,1|O<2>,2|C<3>,7|H<1>}	114.7000	0.000	1	114.7000	0.000	1	112.5780	9.006	2	113.2233	5.752	3	112.3533	6.863	4	112.3533	6.863	4
466	643	778	6:SP3_SP2_SPD5	C[6]	C[6,6a]	C[3x3,3x5,13x6]	5:3:1:1:	4:3:3:	6:6:5:5:4:	C[3x3,3x5,13x6]-5:C[6,6a]-3:H-1:H-1:	C[6]-4:C[6,6a]-3:C[6a]-3:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,13x6]-5:B[3x3,3x5,12x6]-5: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)	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[6])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6,6a]HH)	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>}	C[3x3,3x5,13x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,13x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,13x6]B[3x3,4x5,12x6]B[5x3,3x5,11x6]2C[6])(B[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2H)(C[6]C[6,6a]HH){1|B<6>,1|O<2>,2|C<3>,7|H<1>}	110.4560	0.000	1	110.4560	0.000	1	112.5780	9.006	2	113.2233	5.752	3	112.3533	6.863	4	112.3533	6.863	4
466	643	786	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	B[5,5,6,6]	4:3:3:1:	4:3:3:	4:4:3:2:	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:	B[5,5,6,6]-4:C[3x6]-4:N[5,5]-3:S[5]-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)	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)	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5])	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>}	B[5,5,6,6](B[5,5,6,6]C[3x6]N[5,5]S[5])(C[3x6]C[6,6,6a]2H)(N[5,5]C[5,5]C[5])(S[5]C[5,5]){2|H<1>,2|N<3>,6|C<3>}	103.6227	2.145	4	103.6227	4.600	4	103.6227	4.600	4	103.6227	4.600	4	103.6227	4.600	4	103.6227	4.600	4
466	643	790	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[5,6,6a]-3:C[6,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	Cl(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[5,6,6a]C[5,6a,6a]C[5,6,6])(C[6,6,6a]C[6,6,6a]C[5,6,6])(C[3x6]C[6,6,6a]C[3x6]Cl){1|Cl<1>,3|C<4>,6|C<3>}	Cl(C[3x6]C[6,6,6a]2C[3x6])	110.5620	0.000	1	110.5620	0.000	1	110.5620	0.000	1	111.6140	2.213	2	111.6140	2.213	2	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[3x6]	C[6,6,6a]	Cl	3:3:3:1:	3:3:4:	4:	C[6,6,6a]-3:C[6,6,6a]-3:C[3x6]-3:Cl-1:	C[6,6,6a]-3:C[5,6,6a]-3:C[3x6]-4:	C[3x6]-4:	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl)	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl)	Cl(C[3x6]C[6,6,6a]2C[3x6])	C[3x6](C[6,6,6a]C[5,6,6a]C[6,6,6a])2(C[3x6]C[5,6,6]2)(Cl){4|C<4>,5|C<3>}	C[6,6,6a](C[6,6,6a]C[6,6a,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]C[5,5,6])(C[3x6]C[6,6,6a]C[3x6]Cl){2|Cl<1>,3|C<4>,6|C<3>}	Cl(C[3x6]C[6,6,6a]2C[3x6])	112.6660	0.000	1	112.6660	0.000	1	112.6660	0.000	1	111.6140	2.213	2	111.6140	2.213	2	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	3:3:3:1:	3:4:3:	4:	C[6,6a]-3:C[6]-3:C-3:Cl-1:	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]O)(COO)(Cl)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6]ClC)(C[6a]C[6a]H)	Cl(C[6]C[6,6a]C[6]C)	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>}	Cl(C[6]C[6,6a]C[6]C)	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	109.2940	0.000	1	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	3:3:3:1:	4:3:3:	4:	C[6,6a]-3:C[6,6a]-3:C[5a]-3:Cl-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]N[5a])(Cl)	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	Cl(C[6]C[6,6a]2C[5a])	C[6](C[6,6a]C[6,6a]C[6a])2(C[5a]C[5a]N[5a])(Cl){1|O<2>,2|H<1>,7|C<3>}	C[6,6a](C[6]C[6,6a]C[5a]Cl)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	Cl(C[6]C[6,6a]2C[5a])	104.8713	0.243	4	104.8713	0.059	4	104.8713	0.059	4	104.8713	0.059	4	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	3:4:1:1:	3:4:3:	4:	C[6,6a]-3:C[6]-4:Cl-1:Cl-1:	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]HN)(Cl)2	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H)	Cl(C[6]C[6,6a]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HN)(Cl)2{1|H<1>,1|S<3>,1|S<4>,2|C<3>}	C[6,6a](C[6,6a]C[6a]S[6])(C[6]C[6]Cl2)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|N<3>,3|H<1>}	Cl(C[6]C[6,6a]C[6]Cl)	110.7495	2.804	2	110.7495	7.861	2	110.7495	7.861	2	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	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)	Cl(C[6]C[6,6a]C[6]H)	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>}	Cl(C[6]C[6,6a]C[6]H)	110.2370	0.000	1	109.6220	0.756	2	110.6550	1.373	5	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	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)	Cl(C[6]C[6,6a]C[6]H)	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>}	Cl(C[6]C[6,6a]C[6]H)	109.0070	0.000	1	109.6220	0.756	2	110.6550	1.373	5	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	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)	Cl(C[6]C[6,6a]C[6]H)	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>}	Cl(C[6]C[6,6a]C[6]H)	110.4630	0.000	1	110.4630	0.000	1	110.6550	1.373	5	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	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)	Cl(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)(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>}	Cl(C[6]C[6,6a]C[6]H)	111.8700	0.000	1	111.8700	0.000	1	110.6550	1.373	5	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	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)	Cl(C[6]C[6,6a]C[6]H)	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>}	Cl(C[6]C[6,6a]C[6]H)	111.6980	0.000	1	111.6980	0.000	1	110.6550	1.373	5	110.6820	2.227	7	108.4087	6.989	16	108.7648	7.372	18
466	643	790	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	Cl	4:3:1:1:	3:4:3:	4:	C[5,6]-4:C[6,6a]-3:Cl-1:Cl-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H)	Cl(C[6]C[6,6a]C[5,6]Cl)	C[6](C[5,6]O[5,6]C[6a]C[5])(C[6,6a]C[6,6a]C[6a])(Cl)2{1|C<4>,1|H<1>,6|C<3>}	C[6,6a](C[6,6a]C[5,6]C[6a])(C[6]C[5,6]Cl2)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	Cl(C[6]C[6,6a]C[5,6]Cl)	107.7465	0.918	4	107.7465	0.843	4	107.7465	0.843	4	107.7465	0.843	4	108.4087	6.989	16	108.7648	7.372	18
466	643	811	0:SP3_SP2_SP3	C[6,6]	C[6a]	B[6,6,6a]	4:3:3:3:	4:3:3:	3:3:4:3:	B[6,6,6a]-4:C[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2)	C[6,6](B[6,6,6a]C[5a,6,6a]N[5a,6,6a]C[6a])(C[6,6]B[6,6,6a]C)(C[6a]C[6a]2)2{2|N<3>,4|H<1>,9|C<3>}	C[6a](C[6,6]B[6,6,6a]C[6,6]C[6a])(C[6a]C[6a]H)2{1|B<4>,1|N<3>,2|H<1>,6|C<3>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]2)(C[6a]C[6a]2){10|C<3>,1|B<4>,1|C<4>,1|N<3>,3|H<1>}	109.3200	2.129	4	109.3200	4.531	4	109.3200	4.531	4	109.3200	4.531	4	111.4807	10.621	7	111.4807	10.621	7
466	643	811	0:SP3_SP2_SP3	C[6,6]	C[6a]	B[6,6,6a]	4:4:3:1:	4:3:3:	3:3:4:3:	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[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-4:C[6a]-3:	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	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	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>}	B[6,6,6a](C[5,6,6a]N[5,6,6a]O[5])2(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,4|C<3>,4|C<4>,4|H<1>}	113.3160	0.010	2	113.3160	0.000	2	113.3160	0.000	2	114.3617	3.280	3	111.4807	10.621	7	111.4807	10.621	7
466	643	811	0:SP3_SP2_SP3	C[6,6]	C[6a]	B[6,6,6a]	4:4:3:1:	4:3:3:	3:3:4:3:	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[5a,6,6a]-3:N[5a,6,6a]-3:C[6,6]-4:C[6a]-3:	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	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2)	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>}	B[6,6,6a](C[5a,6,6a]N[5a,6,6a]N[5a])(N[5a,6,6a]C[5a,6,6a]C[5a])(C[6,6]C[6,6]C[6a]H)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,5|H<1>,7|C<3>}	116.4530	0.000	1	116.4530	0.000	1	116.4530	0.000	1	114.3617	3.280	3	111.4807	10.621	7	111.4807	10.621	7
466	643	813	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:3:	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:N[5a,6]-3:C[5a]-3:	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)	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	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>}	N[5a,6](C[6,6]C[6,6a]C[6,6]H)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	116.1640	0.000	1	111.4630	16.577	3	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,3|H<1>,6|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	109.0660	0.000	1	111.4630	16.577	3	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[5a,6]	3:3:3:4:	4:3:3:	4:3:2:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5a,6]-3:N[5a]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a])	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[5a,6](C[6,6]C[6,6a]C[6]N[6])(C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]){1|C<4>,4|C<3>,5|H<1>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	111.4630	16.577	3	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[5a]	4:4:3:3:	4:3:3:	4:3:3:	C[3x6]-4:C[3x6]-4:C[6a]-3:N[5a]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[5a]-3:C[5a]-3:	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2)	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O)	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H)	C[6,6](C[3x6]C[6,6]2H)2(C[6a]C[6a]2)(N[5a]C[5a]2){11|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[6a](C[6,6]C[3x6]2N[5a])(C[6a]C[6a]H)(C[6a]C[6a]O){3|C<3>,4|C<4>,4|H<1>}	N[5a](C[6,6]C[3x6]2C[6a])(C[5a]C[5a]H)(C[5a]N[5a]H){2|C<3>,3|H<1>,4|C<4>}	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	105.1930	0.000	1	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:2:1:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a]-3:O[6]-2:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]O[6]H)(N[5a]N[5a]){1|C<4>,1|H<1>,4|C<3>}	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	111.3280	0.000	1	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|C<4>,1|H<1>,6|C<3>}	110.9370	0.482	2	110.9370	0.233	2	110.8667	0.131	3	110.8667	0.131	3	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5a]-3:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	110.7260	0.000	1	110.7260	0.000	1	110.8667	0.131	3	110.8667	0.131	3	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:2:	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[5a]-3:N[5a]-2:	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)	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a])	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>}	N[5a](C[6]C[6,6a]N[6]H)(C[5a]N[5a]C[6])(N[5a]N[5a]){1|H<1>,2|C<3>,4|C<4>}	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	109.3770	0.000	1	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:3:	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[5a]-3:N[5a]-3:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.1700	0.000	1	110.1740	0.000	2	110.1740	0.000	2	110.1740	0.000	2	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:3:	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[5a]-3:N[5a]-3:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.1780	0.000	1	110.1740	0.000	2	110.1740	0.000	2	110.1740	0.000	2	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:3:3:	3:4:3:	4:3:3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H)	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6,6a](C[6,6a]N[5a,6]C[6a])(C[6]C[6a]N[5a]C[6])(C[6a]C[6a]H){1|N<2>,2|H<1>,2|N<3>,5|C<3>}	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	3:3:4:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,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)	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H)	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])2(C[6]C[6,6a]C[6]H){4|H<1>,7|C<3>}	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|C<4>,3|H<1>,4|C<3>}	111.4810	0.000	1	111.4810	0.000	1	111.4810	0.000	1	111.2865	0.076	2	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:N[5a]-2:	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)	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a])	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>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.2865	0.076	2	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5a]-3:C[6]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[6]-4:C[5a]-3:	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)	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H)	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>}	N[5a](C[5a,6a]C[5a,6a]N[6a])(C[6]C[6,6a]C[6]H)(C[5a]N[5a]H){1|C<4>,2|H<1>,4|C<3>}	110.0445	0.175	2	110.0445	0.031	2	110.0445	0.031	2	110.0445	0.031	2	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	4:3:2:	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[5a]-3:N[5a]-2:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a])	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]C[5a]C)(N[5a]N[5a]){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	109.0170	0.000	1	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:4:3:1:	4:3:3:	4:3:2:	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[5a]-3:N[5a]-2:	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)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]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>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<3>,3|C<4>}	109.6350	0.288	2	109.4427	0.153	3	109.4427	0.153	3	109.4427	0.153	3	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a]	3:4:3:1:	4:3:3:	4:3:2:	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[5a]-3:N[5a]-2:	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)	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]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>}	N[5a](C[6]C[6,6a]C[5,6]H)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|C<4>,3|C<3>}	109.0580	0.000	1	109.4427	0.153	3	109.4427	0.153	3	109.4427	0.153	3	110.3386	1.125	17	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:2:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H)	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[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]N[6]H){3|H<1>,5|C<3>}	112.9990	0.153	2	112.9990	0.023	2	112.9990	0.023	2	113.4600	0.321	4	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:2:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){2|H<1>,6|C<3>}	114.1340	0.000	1	114.1340	0.000	1	113.9210	0.091	2	113.4600	0.321	4	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:2:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]O[6]H){1|H<1>,7|C<3>}	113.7080	0.000	1	113.7080	0.000	1	113.9210	0.091	2	113.4600	0.321	4	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:2:	3:3:4:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3: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])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){1|N<2>,2|H<1>,5|C<3>}	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.2280	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:2:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5a,6]-3:C[6]-4:N[5a]-2:	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])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,1|N<2>,3|C<3>}	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]C[6]H){8|C<3>}	111.2165	0.614	2	111.2165	0.378	2	111.2165	0.378	2	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6]-3:C[5a,6]-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	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6]N[5a,6]N[6])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){1|H<1>,6|C<3>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	108.8820	0.000	1	108.8820	0.000	1	109.6715	1.247	2	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){2|H<1>,6|C<3>}	110.4610	0.000	1	110.4610	0.000	1	109.6715	1.247	2	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6]-3:C[5a]-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	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]H){1|H<1>,7|C<3>}	110.3880	0.000	1	110.3880	0.000	1	110.3880	0.000	1	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	111.1840	0.000	1	111.1840	0.000	1	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	111.0550	0.000	1	111.0550	0.000	1	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	112.8730	0.000	1	112.8730	0.000	1	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	112.2325	0.872	2	112.2390	0.380	3	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	112.2520	0.000	1	112.2390	0.380	3	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]H){2|H<1>,6|C<3>}	112.7280	0.927	4	112.7280	0.859	4	112.2741	0.800	10	111.6468	1.504	16	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|I<1>,6|C<3>}	111.0410	0.000	1	111.0410	0.000	1	111.0410	0.000	1	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	108.8850	0.000	1	108.8850	0.000	1	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]C[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,6|C<3>}	110.7150	0.000	1	110.7150	0.000	1	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|S<2>,4|C<3>}	111.0730	0.000	1	111.8030	1.066	2	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|C<2>,1|H<1>,3|C<3>}	112.5330	0.000	1	111.8030	1.066	2	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|H<1>,4|C<3>}	110.6660	0.703	2	110.6660	0.494	2	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){3|C<3>,3|H<1>}	110.7590	0.000	1	110.7590	0.000	1	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	110.0437	0.658	3	110.0437	0.434	3	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	110.9540	0.000	1	110.9540	0.000	1	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]C[6,6]N[5a])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	113.1940	0.000	1	113.1940	0.000	1	110.7980	1.420	12	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a])	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>}	N[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]H)(N[5a]C[5a]){3|H<1>,4|C<3>}	110.9260	0.000	1	110.9260	0.000	1	110.9260	0.000	1	110.8245	1.207	14	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	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>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	110.3717	0.742	24	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	110.7830	0.464	2	110.7830	0.215	2	110.7830	0.215	2	110.3717	0.742	24	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	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>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	109.5780	0.000	1	110.2160	0.501	21	110.2160	0.501	21	110.3717	0.742	24	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	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>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	110.5060	0.000	1	110.2160	0.501	21	110.2160	0.501	21	110.3717	0.742	24	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O)	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>}	N[5a,6](C[5a,6]S[5a]N[6])(C[6]C[6a]C[6]H)(C[5a]C[5a]O){5|C<3>}	110.2343	0.727	19	110.2160	0.501	21	110.2160	0.501	21	110.3717	0.742	24	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	4:3:2:	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[5a,6]-3:N[5a]-2:	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	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){2|H<1>,4|C<3>}	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	110.0440	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:3:4:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6])	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]2)2(O[6]C[6]){1|C<4>,6|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6a]2O[6]){1|C<4>,4|H<1>,6|C<3>}	110.7415	0.634	4	110.7415	0.401	4	110.7415	0.401	4	110.7415	0.401	4	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	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>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	109.0600	0.000	1	109.0600	0.000	1	109.0600	0.000	1	110.2768	4.825	5	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[3x6]){1|O<2>,2|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	110.3040	3.425	2	110.3040	11.732	2	110.5810	5.817	4	110.2768	4.825	5	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6])	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(O[6]C[6]){1|O<2>,5|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]C[6a]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2O[6])(N[5a]C[5a]){1|C<4>,6|C<3>}	110.8580	2.326	2	110.8580	5.412	2	110.5810	5.817	4	110.2768	4.825	5	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:3:	4:3:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-4:	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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	108.9330	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:4:	4:3:2:	3:3:4:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[5a,6a]-3:C[5a,6]-3: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)(CH3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]C[6a]N[6]C){1|N<2>,2|H<1>,5|C<3>}	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	109.7920	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:4:	4:3:3:	3:3:4:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6]-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)(CF3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]C[5a])(C[6]C[6a]N[6]C){1|C<4>,2|H<1>,6|C<3>}	111.8635	0.255	2	111.8635	0.065	2	111.8635	0.065	2	111.8635	0.065	2	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:3:4:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH)	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a])	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)2(C[6]C[6]HH){2|O<2>,5|H<1>,6|C<3>}	C[6a](C[6]N[5a,6]C[6a]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,4|C<3>,4|H<1>}	N[5a,6](C[5a,6]C[5a]O[6])(C[6]C[6a]2C[6])(N[5a]C[5a]){1|C<4>,2|H<1>,6|C<3>}	109.7110	1.478	2	109.7110	2.184	2	109.7110	2.184	2	109.7110	2.184	2	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:4:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H){4|H<1>,5|C<3>}	112.3090	0.000	1	112.3090	0.000	1	112.3633	0.010	3	112.3633	0.010	3	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:4:1:	4:3:3:	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[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]S[6])(C[6]C[6a]C[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	112.3905	0.128	2	112.3905	0.016	2	112.3633	0.010	3	112.3633	0.010	3	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|C<4>,2|C<3>,3|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.3760	0.530	2	111.3760	0.530	2	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:4:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|C<3>,4|H<1>}	110.8610	0.000	1	110.8610	0.000	1	111.3760	0.530	2	111.3760	0.530	2	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:3:4:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H)	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6a]C[6]H)(C[5a]C[5a]H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:4:3:1:	4:3:3:	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[5a,6,6]-3:C[5a,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)	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H)	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>}	N[5a,6](C[5a,6,6]C[5a,6]C[3x6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6a]C[6]H){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	112.7745	0.078	2	112.7745	0.006	2	112.7745	0.006	2	112.7745	0.006	2	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:4:3:1:	4:3:3:	3:4:2:	N[5a,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a])	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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]C[6]H)(N[5a]N[5a]){1|O<2>,3|H<1>,4|C<3>}	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.1100	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a,6]	3:4:3:1:	4:3:3:	4:3:2:	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[5a,6]-3:N[5a]-2:	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	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a])	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>}	N[5a,6](C[6]C[6,6]C[6a]H)(C[5a,6]N[5a]N[6])(N[5a]C[5a]){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.4380	0.000	1	111.0207	1.877	86	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP2	C[6]	C[6a]	N[5a]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:N[5a]-3:C[6]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5a]-3:N[5a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2)	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]N[5a,6]N)(C[6a]C[6a]2){1|O<1>,2|N<3>,4|H<1>,6|C<3>}	C[6a](C[6]C[6,6a]N[5a]C[6])(C[6a]C[6a]H)2{1|N<2>,2|H<1>,2|N<3>,4|C<3>}	N[5a](C[6]C[6,6a]C[6a]C[6])(C[5a]N[5a]O)(N[5a]C[5a]H){1|N<2>,1|N<3>,1|O<1>,5|C<3>}	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	110.8757	2.347	108
466	643	813	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:3:	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[5a]-3:N[5a]-3:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.7258	1.431	5	111.3300	2.579	6	111.3300	2.579	6	111.3300	2.579	6	111.3127	2.151	7	111.8264	2.653	9
466	643	813	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[5a]	3:3:3:1:	3:4:3:	4:3:3:	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[5a]-3:N[5a]-3:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.3510	0.000	1	111.3300	2.579	6	111.3300	2.579	6	111.3300	2.579	6	111.3127	2.151	7	111.8264	2.653	9
466	643	813	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[5a]	3:3:4:1:	3:4:3:	4:3:3:	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[5a]-3:N[5a]-3:	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)	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H)	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>}	N[5a](C[6]C[6,6a]C[6]H)(C[5a]N[5a]O)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.2090	0.000	1	111.3127	2.151	7	111.8264	2.653	9
466	643	813	0:SP3_SP2_SP3	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5a,6]-3:N[5a,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O)	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>}	N[5a,6](N[5a,6]C[6,6]C[5a])(C[6]C[5a,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	113.6245	0.002	2	113.6245	0.002	2	111.8264	2.653	9
466	643	813	0:SP3_SP2_SP3	C[6]	C[6a]	N[5a,6]	3:3:3:1:	4:3:3:	3:4:3:	N[5a,6]-3:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:C[5a]-3:	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	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O)	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>}	N[5a,6](N[5a,6]C[5,6]C[5a])(C[6]C[5,6]C[6a]H)(C[5a]N[5a]O){1|C<4>,1|O<1>,6|C<3>}	113.6580	0.000	1	113.6580	0.000	1	113.6580	0.000	1	113.6245	0.002	2	113.6245	0.002	2	111.8264	2.653	9
466	643	813	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[5a,6]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:C[6,6a]-3:N[5a,6]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H){1|N<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6a]N[5a,6]C[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]2C[6])(C[5a]C[5a]C[6a]){1|H<1>,9|C<3>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	109.9107	0.003	3	109.9107	0.003	3	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[5a,6]	3:3:3:3:	3:4:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:C[6]-3:C[6]-3:	C[6,6a,6a]-3:C[6,6]-4:C[6a]-3:	C[5a,6]-3:C[6,6]-4:C[5a]-3:	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H)	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a])	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)2{1|N<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6a,6a]C[6a,6a]C[6,6a])(C[6,6]N[5a,6]C[6]2)(C[6a]C[6a]H){3|H<1>,7|C<3>}	N[5a,6](C[5a,6]C[6,6a]N[5a])(C[6,6]C[6,6a]C[6]2)(C[5a]C[5a]C[6a]){2|H<1>,8|C<3>}	109.9000	0.076	2	109.9000	0.006	2	109.9000	0.006	2	109.9107	0.003	3	109.9107	0.003	3	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[5a]-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)	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH)	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>}	N[5a,6](C[5a,6]C[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]HH){1|H<1>,1|N<3>,5|C<3>}	110.8063	0.424	3	110.8063	0.180	3	111.0225	0.307	4	110.4124	0.761	7	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[5a]-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)	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH)	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>}	N[5a,6](C[5a,6]N[5a]S[6])(C[5a]C[6a]N[5a])(C[6]C[6,6a]HH){4|C<3>}	111.6710	0.000	1	111.6710	0.000	1	111.0225	0.307	4	110.4124	0.761	7	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH){2|H<1>,5|C<3>}	109.7400	0.225	2	109.7400	0.051	2	109.5990	0.085	3	110.4124	0.761	7	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:3:4:	N[5a,6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6a]-3:C[5a,6]-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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]O[6])(C[6]C[6,6a]HH){2|H<1>,4|C<3>}	109.3170	0.000	1	109.3170	0.000	1	109.5990	0.085	3	110.4124	0.761	7	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[5a,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C[5a]-3:	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)	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]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>}	N[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]HH)(C[5a]C[5a]H){1|O<1>,2|C<3>,2|H<1>}	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:3:1:	3:4:3:	3:4:3:	N[5a,6]-3:C[6,6a]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6,6a]-3:C[6]-4:C[5a]-3:	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)	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H)	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>}	N[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[5a]C[5a]H){1|Cl<1>,6|C<3>}	110.4770	0.406	2	110.4770	0.165	2	110.4770	0.165	2	110.4770	0.165	2	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:3:2:	4:3:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C[6a]-3:O-2:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a])	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>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]C[6a]O)(N[5a]C[5a,6a]){1|O<1>,6|C<3>}	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.0070	0.000	1	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:3:3:	3:4:3:	3:3:4:	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[5a,6a]-3:C[5a,6]-3:C[6]-4:	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)	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C)	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>}	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5,6]N[5a])(C[6]C[6,6a]C[6a]C){1|C<4>,1|H<1>,6|C<3>}	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	107.6230	0.000	1	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:4:2:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	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>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	109.3170	0.000	1	109.3170	0.000	1	109.0637	0.361	3	109.0637	0.361	3	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:4:2:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	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>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|O<1>,4|C<3>}	109.4960	0.000	1	108.9370	0.625	2	109.0637	0.361	3	109.0637	0.361	3	110.1329	1.872	15	110.0958	1.549	18
466	643	813	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[5a,6]	3:3:4:2:	3:4:3:	3:4:2:	C[6,6a]-3:N[5a,6]-3:C-4:O-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:N[5a]-2:	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)	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a])	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>}	N[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[6,6a]CO)(N[5a]C[5a,6a]){1|N<2>,4|C<3>}	108.3780	0.000	1	108.9370	0.625	2	109.0637	0.361	3	109.0637	0.361	3	110.1329	1.872	15	110.0958	1.549	18
466	643	818	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH)	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>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6])(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.7280	0.000	1	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	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[5]-3:C[5]-3:	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)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	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>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){2|H<1>,5|C<3>}	110.5080	0.000	1	111.0225	0.529	2	111.0225	0.529	2	111.0225	0.529	2	110.8636	3.388	5	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5]	3:3:3:1:	3:4:3:	4:3:3:	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[5]-3:C[5]-3:	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)	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O)	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>}	C[5](C[6]C[6,6a]N[6]H)(C[5]C[5]H)(C[5]N[5]O){1|C<4>,2|H<1>,4|C<3>}	111.5370	0.000	1	111.0225	0.529	2	111.0225	0.529	2	111.0225	0.529	2	110.8636	3.388	5	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5]	3:3:3:1:	4:3:3:	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[5,6a]-3:C[5]-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)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H)	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>}	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C[6a])(C[6]C[6,6a]2H){1|H<1>,9|C<3>}	112.1750	0.942	2	112.1750	0.887	2	112.1750	0.887	2	112.1750	0.887	2	110.8636	3.388	5	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6,6a]	C[5]	3:3:3:4:	4:3:3:	4:2:2:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:N[5]-2:O[5]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6]C[6a]C[5]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,6|H<1>}	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	107.9230	0.000	1	110.8636	3.388	5	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6,6]	3:3:3:2:	4:3:3:	4:3:4:	C[5,6,6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6,6]-3:C[6]-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	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O)	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>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6a]C[6]O){1|O<2>,5|C<3>,5|H<1>}	111.1620	1.136	2	111.1620	1.290	2	111.1620	1.290	2	111.1620	1.290	2	111.1620	1.290	2	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:2:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:N[5]-2:	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	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a])	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>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(N[5]C[5,6a]){1|C<4>,2|H<1>,5|C<3>}	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){7|C<3>}	109.5340	0.000	1	109.5340	0.000	1	111.0790	1.154	4	110.9620	0.934	5	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|C<4>,6|C<3>}	111.5940	0.374	3	111.5940	0.140	3	111.0790	1.154	4	110.9620	0.934	5	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	110.4940	0.000	1	110.4940	0.000	1	110.4940	0.000	1	110.9620	0.934	5	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:4:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH)	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>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6a]N[6]H)(C[5]C[5,6a]HH){1|H<1>,6|C<3>}	115.6370	0.000	1	115.6370	0.000	1	115.6370	0.000	1	115.1535	0.468	2	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	3:4:4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH)	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>}	C[5,6](C[5,6]C[5,5a]C[6,6a])(C[6]C[6a]N[6]H)(C[5]C[5,5a]HH){1|N<3>,1|S<4>,5|C<3>}	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	115.1535	0.468	2	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	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>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	111.8140	0.461	2	111.8140	0.213	2	112.1180	0.384	3	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){2|H<1>,5|C<3>}	112.7260	0.000	1	112.7260	0.000	1	112.1180	0.384	3	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	110.1600	0.000	1	110.1600	0.000	1	110.8553	1.923	3	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<2>,1|O<1>,2|C<4>,3|C<3>}	112.4520	0.000	1	111.2030	3.120	2	110.8553	1.923	3	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]N[6])(C[5]N[5]O){1|C<4>,1|O<1>,5|C<3>}	109.9540	0.000	1	111.2030	3.120	2	110.8553	1.923	3	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	112.7020	0.000	1	112.7020	0.000	1	112.0084	3.090	7	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	112.5385	2.172	2	112.6310	3.433	4	112.0084	3.090	7	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	112.7235	2.355	2	112.6310	3.433	4	112.0084	3.090	7	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	111.1730	0.000	1	111.1730	0.000	1	112.0084	3.090	7	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	109.6600	0.000	1	109.6600	0.000	1	112.0084	3.090	7	111.7676	2.202	13	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:S[5]-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	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO)	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>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]N[6])(S[5]C[5]OO){4|H<1>,5|C<3>}	111.5200	0.000	1	111.5200	0.000	1	111.5200	0.000	1	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<2>,1|C<4>,1|O<1>,3|C<3>}	113.6200	0.000	1	113.6200	0.000	1	112.0275	5.072	2	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.4350	0.000	1	110.4350	0.000	1	112.0275	5.072	2	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:S[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	113.7420	0.000	1	113.4525	0.168	2	113.4525	0.168	2	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:S[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(S[5]C[5]OO){1|C<2>,3|C<3>,4|H<1>}	113.1630	0.000	1	113.4525	0.168	2	113.4525	0.168	2	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH)	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>}	C[5,6](C[6]N[5a,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]O[5]HH){1|N<3>,2|H<1>,5|C<3>}	115.5585	0.500	2	115.5585	0.250	2	115.5585	0.250	2	113.3710	3.685	7	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:1:	4:3:3:	4:4:3:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C[5]-3:	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	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5])	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>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]N[6]H)(C[5]C[6a]C[5]){1|O<1>,1|O<2>,1|S<4>,4|C<3>,4|H<1>}	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	113.2540	0.000	1	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[5,6]C[6a])(C[6a]C[6a]H)2{2|H<1>,7|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	107.0432	4.420	6	107.0432	19.538	6	107.0432	19.538	6	107.0432	19.538	6	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	3:4:3:	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[5,6]-3:C[5]-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)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	3:4:3:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,1|H<1>,5|C<3>}	113.9005	1.278	2	113.9005	1.633	2	113.9005	1.633	2	113.9005	1.633	2	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:2:	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[5,6]-3:O[5]-2:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5])	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	114.3710	0.000	1	114.3710	0.000	1	114.3710	0.000	1	111.6637	5.730	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:2:	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[5,6]-3:S[5]-2:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5])	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(S[5]C[5]){1|S<4>,5|C<3>,5|H<1>}	110.3100	0.682	2	110.3100	0.465	2	110.3100	0.465	2	111.6637	5.730	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]C){1|C<4>,3|C<3>,5|H<1>}	112.1590	0.000	1	112.1590	0.000	1	113.5330	1.840	3	113.5330	1.840	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]O[6])(C[5]N[5]C){3|H<1>,4|C<3>}	114.8710	0.000	1	114.8710	0.000	1	113.5330	1.840	3	113.5330	1.840	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	113.5690	0.000	1	113.5690	0.000	1	113.5330	1.840	3	113.5330	1.840	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	C[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5]-4:C[5,6]-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	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[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]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>}	C[5,6](C[5]N[5,6a]C[6a]H)(C[5,6]N[5,6a]C[6])(C[6]C[6a]C[6]H){1|C<4>,3|H<1>,7|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	113.5030	1.363	2	113.5030	1.859	2	113.4646	5.128	7	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>}	109.5260	0.000	1	109.5260	0.000	1	113.4646	5.128	7	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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)	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.8915	1.590	2	114.8915	2.529	2	113.4646	5.128	7	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]C[5]HH){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	112.1960	0.000	1	112.1960	0.000	1	113.4646	5.128	7	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[6a]C[6]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.7410	0.000	1	115.7410	0.000	1	113.4646	5.128	7	113.3717	4.464	8	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:3:4:2:	4:3:3:	4:3:3:	C[5,6]-3:C[6a]-3:C[6]-4:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C)	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>}	C[5,6](C[6]C[6a]C[6]O)(C[5,6]N[5]S[6])(C[5]C[5,5]C){2|H<1>,5|C<3>}	112.5270	0.476	3	112.5270	0.226	3	112.5270	0.226	3	112.5270	0.226	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:4:3:1:	4:3:3:	3:4:4:	C[5,6]-3:C[5,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH)	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>}	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[5,6]C[6a]H)(C[5]S[5]HH){3|C<3>,3|C<4>,3|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.8430	0.000	1	115.1700	12.677	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:4:3:1:	4:3:3:	3:4:4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	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>}	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){1|C<4>,4|C<3>,4|H<1>}	111.7340	0.000	1	111.7340	0.000	1	113.3335	5.117	2	115.1700	12.677	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	3:4:3:1:	4:3:3:	3:4:4:	C[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH)	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>}	C[5,6](C[5,6]N[6,6]C[5])(C[6]C[6a]C[6]H)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	114.9330	0.000	1	114.9330	0.000	1	113.3335	5.117	2	115.1700	12.677	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	3:4:3:	C[5,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O)	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|O<1>,2|O<2>,4|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>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[5,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	113.7880	0.000	1	113.7880	0.000	1	113.7880	0.000	1	112.1597	2.769	6	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	112.0250	0.000	1	112.0250	0.000	1	112.9513	0.644	3	112.1597	2.769	6	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6]C[6a]H)(C[5]C[5,6a]O){1|H<1>,2|C<4>,4|C<3>}	113.4145	0.015	2	113.4145	0.000	2	112.9513	0.644	3	112.1597	2.769	6	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	3:4:3:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	P[5,6]-3:C[6]-4:C[5]-3:	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	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C)	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>}	C[5,6](P[5,6]P[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]C[5]C){1|C<4>,1|H<1>,6|C<3>}	110.1580	0.105	2	110.1580	0.011	2	110.1580	0.011	2	112.1597	2.769	6	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	3:4:4:	C[6]-4:C[5,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-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	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH)	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>}	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[5]O[5]HH){2|C<4>,3|C<3>,4|H<1>}	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	111.7170	0.000	1	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5])	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>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5,6]C[5])(C[5]C[6a]C[5]){3|H<1>,9|C<3>}	113.7800	0.000	1	113.7800	0.000	1	113.7800	0.000	1	115.1820	2.895	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	4:3:3:	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:P[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C)	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>}	C[5,6](C[6]C[5,6]C[6a]H)(P[5,6]P[5,6]C[5])(C[5]C[5]C){3|C<4>,5|C<3>}	117.0750	0.000	1	117.0750	0.000	1	117.0750	0.000	1	115.1820	2.895	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5]C[6])(C[5]C[5]O){1|S<2>,4|C<3>,5|H<1>}	114.6910	0.000	1	114.6910	0.000	1	114.6910	0.000	1	115.1820	2.895	3	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[4,5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	114.4240	0.000	1	114.4240	0.000	1	114.4240	0.000	1	112.5560	6.979	2	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5,6]	4:3:3:1:	4:3:3:	4:3:4:	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[5,6]-3:C[5]-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	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH)	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>}	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]O[6])(C[5]N[5]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	110.6880	0.000	1	110.6880	0.000	1	110.6880	0.000	1	112.5560	6.979	2	112.3116	7.710	70	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5]	3:3:3:3:	4:3:3:	4:4:3:	B[6]-3:C[6a]-3:B[6]-3:C[5]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-4:C[5]-3:	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2)	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C)	C[6](B[6]C[5,6]Cl)(C[6a]C[6a]2)(B[6]C[6]Cl)(C[5]C[5]2){3|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]B[6]2C[5])(C[6a]C[6a]H)2{2|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[6]C[6a]B[6]2)(C[5]C[5]HH)(C[5]C[5]C){2|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	117.8870	0.000	1	114.0250	29.830	2	112.2404	7.537	80
466	643	818	0:SP3_SP2_SP2	C[6]	C[6a]	C[5]	3:3:3:4:	4:3:3:	4:2:2:	C[6,6a]-3:C[5]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[5]-2:O[5]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5]N[5]O[5])(C[6a]C[6a]2)(C[6]C[6]HH){3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[6,6a]C[5]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<2>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[6]C[6,6a]C[6a]C[6])(N[5]C[5])(O[5]C[5]){3|C<4>,4|C<3>,4|H<1>}	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	110.1630	0.000	1	114.0250	29.830	2	112.2404	7.537	80
466	643	818	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	C[5,6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[5,6,6]-3:C[3x6]-4:C[5]-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)	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5])	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>}	C[5,6,6](C[5,6,6]C[3x6]C[5])(C[3x6]C[6,6,6a]2H)(C[5]C[6a]2O[5]){10|C<3>,1|H<1>}	104.4385	0.691	4	104.4385	0.477	4	104.4385	0.477	4	104.4385	0.477	4	104.4385	0.477	4	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[5,6]	3:4:3:1:	3:3:4:	3:4:3:	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[5,6,6a]-3:C[6,6]-4:C[5,6]-3:	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)	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]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>}	C[5,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,5,6,6]C[6,6]){1|H<1>,2|C<4>,9|C<3>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	106.6985	0.297	2	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	C[5,6]	3:4:3:1:	3:3:4:	4:4:3:	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[5,5,6,6]-4:C[6,6]-4:C[5,6]-3:	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)	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]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>}	C[5,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6a])(C[6,6]C[6,6,6a]C[6,6]H)(C[5,6]C[5,6,6a]C[6,6]){12|C<3>,1|C<4>,1|H<1>}	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.3130	0.000	1	106.6985	0.297	2	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	C[5,6,6]	3:3:4:4:	4:3:3:	4:4:3:	C[6,6a]-3:C[5,6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3)	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[5,6,6]C[5,6]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6]C[5,6,6]C[6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	110.6560	0.000	1	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6,6]	3:3:1:1:	3:4:3:	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[5,5,6]-4:C[5,6,6]-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)	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH)	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>}	C[5,6,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6,6]C[5,5,6]C[6])(C[6]C[6,6a]HH){3|H<1>,4|C<3>}	111.8440	0.141	2	111.8440	0.020	2	111.8440	0.020	2	111.8440	0.020	2	111.8440	0.020	2	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	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>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,4|H<1>}	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.7000	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[5]-4: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)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH)	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>}	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HP)(C[6]C[6,6a]HH){6|C<3>}	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	112.4990	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:1:1:	3:4:3:	4:4:3:	C[6,6a]-3:C[5,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]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>}	C[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	108.8380	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	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[5,6]-3:C[5]-3:	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)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	109.7630	0.000	1	109.7630	0.000	1	108.7100	0.588	4	108.8043	0.381	6	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	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[5,6]-3:C[5]-3:	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)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	108.3590	0.378	3	108.3590	0.143	3	108.7100	0.588	4	108.8043	0.381	6	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	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[5,6]-3:C[5]-3:	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])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]C[5]O){4|C<3>,5|H<1>}	109.1240	0.000	1	109.1240	0.000	1	108.9930	0.034	2	108.8043	0.381	6	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:1:	3:4:3:	4:3:3:	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[5,6]-3:C[5]-3:	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])	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	108.8620	0.000	1	108.8620	0.000	1	108.9930	0.034	2	108.8043	0.381	6	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:1:	4:3:3:	4:3:3:	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[5,6]-3:C[5]-3:	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)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O)	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>}	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]N[6])(C[5]O[5]O){3|H<1>,4|C<3>}	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	108.3190	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:3:	3:4:3:	3:3:4:	C[5,6]-3:C[6,6a]-3:C-3:C-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC)	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[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6,6a]CC){1|P<4>,4|C<3>,4|H<1>}	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	111.5500	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:3:3:	4:3:3:	4:3:3:	C[6,6a]-3:C[5,6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6a]-3:C[6a]-3:	C[6]-4:C[5,6]-3:C[5]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(C[6a]C[6a]2)2{1|C<2>,1|C<4>,5|H<1>,8|C<3>}	C[6,6a](C[6]C[5,6]C[6a]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|H<1>,1|O<2>,8|C<3>}	C[5,6](C[6]C[6,6a]C[6a]2)(C[5,6]C[5]C[6])(C[5]C[5]C){1|O<1>,2|C<2>,7|C<3>}	110.3740	0.370	3	110.3740	0.137	3	110.3740	0.137	3	110.3740	0.137	3	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O)	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>}	C[5,6](C[5,6]C[5]O[6])(C[6]C[6,6a]CH)(C[5]O[5]O){2|C<3>,2|H<1>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	108.0850	0.011	2	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:4:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6]-4:C[5]-3:	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)	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O)	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>}	C[5,6](C[5,6]C[5,6a]O[6])(C[6]C[6,6a]C[5]H)(C[5]C[5,6a]O){1|H<1>,6|C<3>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0850	0.011	2	109.4311	1.651	17	108.6855	5.660	26
466	643	818	6:SP3_SP2_SP2	C[6]	C[6,6a]	C[5,6]	3:3:4:4:	3:4:3:	4:4:4:	C[6,6a]-3:C[5,6]-3:C-4:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H)	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,3x6]C[5])(CH3)2{2|C<4>,3|H<1>,4|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5,6]CC)(C[6a]C[6a]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,3x6]C[5,5,3x6]C[6,6]C[6])(C[5]C[5,5,6,6]HH)(C[6]C[6,6a]CC){3|C<3>,3|C<4>,3|O<1>}	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.3040	0.000	1	109.4311	1.651	17	108.6855	5.660	26
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:F-1:F-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[5a,6]O)(F)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]2)(C[6]C[5a,6]O)(F)2{1|C<4>,4|C<3>}	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6,6a]C[6,6a]C[6])(C[6]C[6]FF){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	F(C[6]C[6,6a]C[6]F)	109.9195	0.523	2	109.9195	0.273	2	109.9195	0.273	2	109.7733	0.201	4	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:3:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:F-1:F-1:	C[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]N)(F)2	C[6,6a](C[6,6a]C[5a,6]C[6a])(C[6a]C[6a]H)(C[6]C[6]FF)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]N)(F)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]FF){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	F(C[6]C[6,6a]C[6]F)	109.6270	0.494	2	109.6270	0.244	2	109.6270	0.244	2	109.7733	0.201	4	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:3:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-3:N-3:F-1:	C[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)(NSS)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FN)	F(C[6]C[6,6a]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]O[6]O)(NSS)(F){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]FN){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	F(C[6]C[6,6a]C[6]N)	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.9390	0.000	1	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	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)	F(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)(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>}	F(C[6]C[6,6a]C[5,6]H)	108.4280	0.000	1	108.4280	0.000	1	108.4280	0.000	1	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]FF)(F)2{1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]O)(C[6]C[6]FF){1|C<3>,1|C<4>,1|H<1>,1|O<2>,4|F<1>}	F(C[6]C[6,6a]C[6]F)	111.6469	0.380	10	111.6469	0.144	10	111.3348	0.475	14	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:4:1:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:F-1:F-1:	C[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]HO)(F)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]FF)	F(C[6]C[6,6a]C[6]F)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6]HO)(F)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]FF){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	F(C[6]C[6,6a]C[6]F)	110.5545	0.701	4	110.5545	0.491	4	111.3348	0.475	14	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	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)	F(C[6]C[6,6a]C[6]H)	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>}	F(C[6]C[6,6a]C[6]H)	108.6340	0.000	1	108.6340	0.000	1	108.9820	0.560	5	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	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)	F(C[6]C[6,6a]C[6]H)	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>}	F(C[6]C[6,6a]C[6]H)	110.3200	0.000	1	110.3200	0.000	1	108.9820	0.560	5	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	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)	F(C[6]C[6,6a]C[6]H)	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>}	F(C[6]C[6,6a]C[6]H)	108.6520	0.039	3	108.6520	0.002	3	108.9820	0.560	5	110.6013	1.778	20	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6,6a]	F	3:4:3:1:	3:3:4:	4:	C[6,6a]-3:C[6]-4:C-3:F-1:	C[6,6a]-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)(F)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]C[6]CF)	F(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)(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>}	F(C[6]C[6,6a]C[6]C)	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	107.7020	0.000	1	110.3753	1.773	26	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6a]	F	3:3:4:1:	3:3:4:	4:	C[6]-3:C[6a]-3:C[6]-4:F-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]C[6]HH)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	F(C[6]C[6a]C[6]2)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]HH)(F){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	F(C[6]C[6a]C[6]2)	107.3630	0.163	2	107.3630	0.026	2	107.3630	0.026	2	107.3630	0.026	2	107.6178	1.052	5	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:F-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)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	F(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)(F){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	F(C[6]C[6a]C[6]2)	106.1660	0.000	1	106.1660	0.000	1	107.3315	2.717	2	107.3315	2.717	2	107.6178	1.052	5	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6a]	F	3:4:3:1:	3:3:4:	4:	C[6a]-3:C[6]-4:C[6]-3:F-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)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	F(C[6]C[6a]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)(F){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|C<3>,1|I<1>,1|O<1>,2|C<4>,3|H<1>}	F(C[6]C[6a]C[6]2)	108.4970	0.000	1	108.4970	0.000	1	107.3315	2.717	2	107.3315	2.717	2	107.6178	1.052	5	109.9306	2.681	31
466	643	830	0:SP3_SP-NON_SP2	C[6]	C[6a]	F	4:3:3:1:	3:3:4:	4:	C[6]-4:C[6]-3:C[6a]-3:F-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F)	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F)	F(C[6]C[6a]C[6]2)	C[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)(F){2|H<1>,6|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]C[6]2F){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	F(C[6]C[6a]C[6]2)	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	108.7000	0.000	1	107.6178	1.052	5	109.9306	2.681	31
466	643	849	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	P[6]	3:4:3:1:	4:3:3:	4:3:3:3:	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[6,6a]-3:C[6a]-3:C[6a]-3:	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)	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2	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>}	P[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)2{2|C<4>,5|H<1>,8|C<3>}	112.8425	0.066	2	112.8425	0.004	2	112.8425	0.004	2	112.8425	0.004	2	112.8425	0.004	2	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6,6]	C[6a]	P[6]	2:3:4:4:	4:3:3:	4:2:2:1:	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:O[6]-2:O-2:O-1:	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	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O)	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>}	P[6](C[6,6]N[6,6]C[6a]P[6])(O[6]P[6])(OZn)(O){1|C<4>,2|C<3>,2|O<1>,3|O<2>}	106.6225	3.219	2	106.6225	10.365	2	106.6225	10.365	2	106.6225	10.365	2	107.1010	5.869	3	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6,6]	C[6a]	P[6]	4:3:3:4:	4:3:3:	4:2:2:1:	C[3x6]-4:C[6,6]-3:C[6a]-3:P[6]-4:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:O[6]-2:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O)	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]C)(C[6a]C[6a]2)(P[6]O[6]2O){2|C<4>,3|H<1>,6|C<3>}	C[6a](C[6,6]C[3x6]C[6,6]P[6])(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|O<2>,3|H<1>,4|C<3>}	P[6](C[6,6]C[3x6]C[6,6]C[6a])(O[6]C[6])2(O){2|C<4>,5|C<3>,5|H<1>}	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	108.0580	0.000	1	107.1010	5.869	3	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:2:1:	4:3:3:	4:4:2:1:	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]-4:O-2:O-1:	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	P[6](C[6]C[6a]O[6]H)2(OH)(O)	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>}	P[6](C[6]C[6a]O[6]H)2(OH)(O){1|C<4>,4|C<3>}	113.9930	0.174	2	113.9930	0.030	2	113.9930	0.030	2	113.9930	0.030	2	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:3:1:	4:3:3:	3:4:3:1:	C[5a,6]-3:P[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:S-1:	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	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S)	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>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(S){1|S<2>,2|H<1>,7|C<3>}	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	110.4360	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:3:1:	4:3:3:	4:2:1:1:	C[6a]-3:P[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:H-1:O-1:	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	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O)	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>}	P[6](C[6]C[6a]N[6]H)(O[6]C[6])(H)(O){1|C<4>,2|C<3>,3|H<1>}	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	109.3640	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:3:1:	4:3:3:	4:3:3:1:	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[6a]-3:C[6]-3:S-1:	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	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S)	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>}	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S){2|C<4>,7|C<3>}	111.7500	0.474	2	111.7500	0.224	2	111.7500	0.224	2	111.7500	0.224	2	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:3:2:	4:3:3:	3:4:3:1:	C[5a,6]-3:P[6]-4:C[6a]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:O-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	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O)	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>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]O)(C[6a]C[6a]2)(O){1|S<2>,2|H<1>,7|C<3>}	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	108.3660	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	3:4:4:1:	4:3:3:	4:4:4:1:	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]-4:C[6]-4:O-1:	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	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O)	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>}	P[6](C[6]C[6a]C[6]H)2(C[6]C[6]2H)(O){2|C<4>,5|C<3>,8|H<1>}	110.4430	1.363	2	110.4430	1.859	2	110.4430	1.859	2	110.4430	1.859	2	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	4:3:2:1:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	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)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	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>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	110.9580	0.000	1	110.9580	0.000	1	114.0090	7.929	3	114.0090	7.929	3	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	4:3:2:1:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	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)	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	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>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	114.5610	0.000	1	114.5610	0.000	1	114.0090	7.929	3	114.0090	7.929	3	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	4:3:2:1:	P[6]-4:C[6a]-3:Se[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:Se[6]-2:Se-1:	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	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se)	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>}	P[6](C[6]C[6a]Se[6]H)(C[6a]C[6a]2)(Se[6]C[6])(Se){1|P<4>,3|H<1>,5|C<3>}	116.5080	0.000	1	116.5080	0.000	1	114.0090	7.929	3	114.0090	7.929	3	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	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[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	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH)	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>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]CH){1|B<4>,2|H<1>,4|F<1>,6|C<3>}	113.4160	0.000	1	113.4160	0.000	1	116.1045	14.456	2	116.1045	14.456	2	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	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[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	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH)	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>}	P[6](C[6]C[6a]O[6]H)(C[6a]C[6a]2)2(C[6]C[6]HH){1|B<4>,2|H<1>,4|C<4>,6|C<3>}	118.7930	0.000	1	118.7930	0.000	1	116.1045	14.456	2	116.1045	14.456	2	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:2:1:	4:3:3:	4:4:3:3:	P[6]-4:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6,6]-4:C[6]-4:C[6a]-3:C[6a]-3:	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H)	C[6a](C[6]O[6]P[6]H)(C[6a]C[6a]H)2	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2	C[6](P[6]C[5,6,6]C[6a]2)(C[6a]C[6a]2)(O[6]B[6])(H){2|C<4>,3|H<1>,8|C<3>}	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>}	P[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]O[6]H)(C[6a]C[6a]2)2{1|B<4>,2|H<1>,6|C<3>,7|C<4>}	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.3720	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:3:1:	4:3:3:	4:3:2:1:	P[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:O-1:	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	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O)	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>}	P[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])(O){1|C<4>,4|C<3>,5|H<1>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:4:1:	4:3:3:	4:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O-2:O-1:	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	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O)	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>}	P[6](C[6]C[6a]C[6]H)(O[6]C[6])(OC)(O){1|H<1>,5|C<3>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	0:SP3_SP2_SP3	C[6]	C[6a]	P[6]	4:3:4:3:	4:3:3:	4:2:2:1:	C[6]-4:C[6a]-3:P[6]-4:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:O[6]-2:O-1:	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C)	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O)	C[6](C[6]C[6,6a]HO)(C[6a]C[6a]2)(P[6]O[6]2O)(C[6]S[6]C){2|C<4>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]2P[6])(C[6a]C[6a]H)2{1|O<1>,1|S<2>,3|C<3>,3|H<1>,3|O<2>}	P[6](C[6]C[6a]C[6]2)(O[6]C[6])2(O){1|C<4>,1|O<2>,1|S<2>,4|C<3>,5|H<1>}	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	109.0750	0.000	1	112.1988	7.490	18	111.5898	9.515	23
466	643	849	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	P[6]	3:3:4:3:	3:4:3:	4:2:3:1:	C[6,6a]-3:C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:O[6]-2:N-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H)	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H)	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6])(P[6]O[6]NO)(C[6]C[6]H){3|C<3>,3|C<4>,3|H<1>}	C[6,6a](C[6,6a]C[5,6,6]C[6a])(C[6,6]C[6]2P[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	P[6](C[6,6]C[6,6a]C[6]2)(O[6]C[5,6,6])(NC[6]H)(O){1|H<1>,2|C<4>,5|C<3>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	3:4:3:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:B-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)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3)	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>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(BH3){3|H<1>,6|C<3>}	109.9860	0.315	2	109.9860	0.099	2	109.9860	0.099	2	109.9860	0.099	2	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	B[3,6]-4:C[6]-4: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)	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	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>}	P[6](B[3,6]B[3,6]P[3]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{4|C<4>,5|C<3>,8|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	113.7822	1.081	5	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	B[6,6]-4:C[6]-4: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)	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	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>}	P[6](B[6,6]C[6,6a]B[6,6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<3>,1|P<4>,4|C<3>,4|C<4>,8|H<1>}	113.0630	0.000	1	113.0630	0.000	1	114.0000	1.756	2	113.7822	1.081	5	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	B[6,6]-4:C[6]-4: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)	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2	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>}	P[6](B[6,6]C[6,6a]B[6,6]P)(C[6]C[6,6a]HH)(C[6]C[6]2H)2{1|P<4>,4|C<3>,4|C<4>,9|H<1>}	114.9370	0.000	1	114.9370	0.000	1	114.0000	1.756	2	113.7822	1.081	5	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:B[6]-4: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)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	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>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<4>,2|C<3>,4|C<4>,8|H<1>}	114.8070	0.000	1	114.1405	0.888	2	114.1405	0.888	2	113.7822	1.081	5	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:P[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:B[6]-4: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)	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2	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>}	P[6](C[6]C[6,6a]HH)(B[6]B[6]HP)(C[6]C[6]2H)2{1|Br<1>,1|P<3>,2|C<3>,4|C<4>,8|H<1>}	113.4740	0.000	1	114.1405	0.888	2	114.1405	0.888	2	113.7822	1.081	5	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:3:1:	3:4:3:	4:3:3:1:	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[6a]-3:C[6]-3:S-1:	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)	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S)	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>}	P[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(S){2|C<4>,7|C<3>}	108.3025	3.323	2	108.3025	11.040	2	108.3025	11.040	2	108.3025	11.040	2	111.4375	8.147	10	111.3245	7.473	11
466	643	849	6:SP3_SP2_SP3	C[6]	C[6,6a]	P[6]	3:4:4:1:	3:3:4:	3:4:3:1:	C[6,6a]-3:P[6]-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:O-1:	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)	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O)	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>}	P[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)(O){3|H<1>,6|C<3>}	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	108.8870	0.000	1	111.4375	8.147	10	111.3245	7.473	11
466	643	854	0:SP3_SP2_SP3	C[3x6]	C[6,6a]	N[6]	3:4:4:4:	4:3:3:	4:4:1:1:	C[6,6a]-3:C[3x6]-4:C[6]-4:N[6]-4:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-4:H-1:H-1:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH)	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H)	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2	C[3x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]O)(C[6]C[6]HH)(N[6]C[6]HH){1|C<3>,1|N<2>,4|C<4>,7|H<1>}	C[6,6a](C[3x6]C[3x6]C[6]N[6])(C[6,6a]N[6a]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,7|H<1>}	N[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,3|C<4>,4|H<1>}	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	109.8590	0.000	1	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:4:3:1:	4:3:2:	4:4:4:1:	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]-4:C[6,6]-4:H-1:	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])	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)(H){2|C<3>,2|N<2>,4|C<4>}	111.1735	1.428	2	111.1735	2.038	2	111.1735	2.038	2	111.1735	2.038	2	111.1735	2.038	2	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	4:3:4:1:	4:3:3:	4:4:4:1:	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[6,6]-4:C[6]-4:H-1:	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)	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	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>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,8|H<1>}	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	111.5870	0.000	1	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<3>}	108.3340	0.000	1	108.3340	0.000	1	109.8675	4.703	2	110.3208	1.512	5	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)2{1|N<3>,2|H<1>,3|C<3>}	111.4010	0.000	1	111.4010	0.000	1	109.8675	4.703	2	110.3208	1.512	5	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	110.4915	0.745	2	110.4915	0.554	2	110.6230	0.329	3	110.3208	1.512	5	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	110.8860	0.000	1	110.8860	0.000	1	110.6230	0.329	3	110.3208	1.512	5	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:4:1:	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]-4:C-4:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)(H){1|N<3>,2|H<1>,3|C<3>}	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	112.3210	0.000	1	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:2:	4:4:1:1:	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]-4:H-1:H-1:	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])	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.9310	0.000	1	109.9310	0.000	1	111.2947	1.519	6	111.2947	1.519	6	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)2	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>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	110.7380	0.000	1	110.9180	0.068	3	111.2947	1.519	6	111.2947	1.519	6	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)2	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>}	N[6](C[6]C[6a]C[6]H)2(H)2{2|C<4>,2|H<1>,5|C<3>}	111.0080	0.297	2	110.9180	0.068	3	111.2947	1.519	6	111.2947	1.519	6	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)2	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>}	N[6](C[6]C[6a]C[6]H)2(H)2{1|C<4>,3|H<1>,5|C<3>}	111.5260	0.000	1	111.5260	0.000	1	111.2947	1.519	6	111.2947	1.519	6	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.5570	0.000	1	113.5570	0.000	1	111.2947	1.519	6	111.2947	1.519	6	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:4:	4:3:2:	4:4:1:1:	C[6a]-3:C[6]-4:N[6]-4:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-4:H-1:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6]C)(N[6]C[6]HH)(CH3){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|N<4>,2|C<3>,2|H<1>}	106.4790	0.387	2	106.4790	0.150	2	106.4790	0.150	2	106.4790	0.150	2	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:4:4:	4:3:3:	4:4:4:1:	C[6a]-3:C[6]-4:C[6]-4:N[6]-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H)	C[6a](C[6]C[6]2N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)2(N[6]C[6]2H){10|H<1>,2|C<3>,3|C<4>}	C[6a](C[6]C[6]2N[6])(C[6a]C[6a]H)2{1|C<3>,4|C<4>,7|H<1>}	N[6](C[6]C[6a]C[6]2)(C[6]C[6]HH)2(H){2|C<3>,3|C<4>,8|H<1>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:4:1:	4:3:3:	4:3:4:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H){3|C<4>,4|C<3>,4|H<1>}	109.4650	0.000	1	109.4650	0.000	1	109.4577	0.920	3	109.4577	0.920	3	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:4:1:	4:3:3:	4:3:4:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)(H)	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>}	N[6](C[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>}	109.4540	1.356	2	109.4540	1.839	2	109.4577	0.920	3	109.4577	0.920	3	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:4:1:	4:3:3:	4:3:4:4:	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]-3:C-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CCHH)(CH3){2|C<3>,2|C<4>,3|H<1>}	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	112.9260	0.000	1	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:4:1:	4:3:3:	4:4:1:1:	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]-4:H-1:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)2{1|N<4>,3|C<3>,3|H<1>}	108.6500	0.396	2	108.6500	0.157	2	108.6500	0.157	2	109.2353	1.106	3	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:4:1:	4:3:3:	4:4:1:1:	N[6]-4:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{2|C<3>,3|C<4>,5|H<1>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	109.2353	1.106	3	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:4:3:1:	4:3:3:	4:4:1:1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6a]C[6]H)(H)2{1|C<4>,2|H<1>,6|C<3>}	109.9300	0.000	1	109.9300	0.000	1	110.0255	0.018	2	110.0255	0.018	2	110.1777	3.027	25	110.2511	2.737	30
466	643	854	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:4:3:1:	4:3:3:	4:4:1:1:	C[6]-4:N[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:H-1:	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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)2{1|N<3>,2|C<4>,3|C<3>,4|H<1>}	110.1210	0.000	1	110.1210	0.000	1	110.0255	0.018	2	110.0255	0.018	2	110.1777	3.027	25	110.2511	2.737	30
466	643	854	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:4:4:1:	3:4:3:	4:4:4:1:	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[6,6]-4:C-4:H-1:	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)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H)	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>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	109.8700	0.000	1	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:1:	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]-4:C-4:H-1:	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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)(H){3|C<3>,4|H<1>}	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	110.5790	0.000	1	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:4:1:	4:3:3:	4:4:4:1:	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]-4:C[6]-4:H-1:	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)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H)	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>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	110.2570	0.000	1	110.2570	0.000	1	110.2570	0.000	1	111.2590	1.455	5	110.9355	1.792	6	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:4:1:	4:3:3:	4:4:4:1:	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]-4:C[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]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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	111.5080	1.151	2	111.5080	1.325	2	111.5095	1.522	4	111.2590	1.455	5	110.9355	1.792	6	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:4:1:	4:3:3:	4:4:4:1:	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]-4:C[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]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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	111.5110	1.800	2	111.5110	3.241	2	111.5095	1.522	4	111.2590	1.455	5	110.9355	1.792	6	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:4:2:	4:3:3:	4:4:4:4:	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:C[6]-4:C[6]-4:C-4:	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)	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	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>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	109.3180	0.000	1	110.9355	1.792	6	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6]-4:C-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)	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	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>}	N[6,6](C[6,6]C[6,6a]C[6]O)(C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:4:1:1:	3:4:3:	4:4:4:1:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:H-1:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)(H){4|C<3>,4|H<1>}	113.3950	0.434	4	113.3950	0.188	4	113.3950	0.188	4	113.3950	0.188	4	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:4:1:1:	3:4:3:	4:4:4:4:	C[6,6a]-3:N[6,6]-4:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	B[6,6]-4:C[6]-4:C[6]-4:C-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)	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH)	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>}	N[6,6](B[6,6]C[6a]O[6]2)(C[6]C[6,6a]HH)2(CC[6a]HH){6|C<3>}	112.0295	0.166	2	112.0295	0.028	2	112.0295	0.028	2	111.8558	0.285	4	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:4:1:1:	3:4:3:	4:4:4:4:	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]-4:B[6,6]-4:C-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)	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH)	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>}	N[6,6](C[6]C[6,6a]HH)2(B[6,6]O[6]2O)(CC[6a]HH){4|C<3>}	111.6820	0.840	2	111.6820	0.706	2	111.6820	0.706	2	111.8558	0.285	4	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	4:3:1:1:	3:4:3:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	109.9950	0.000	1	110.6673	0.349	3	110.6673	0.349	3	110.6673	0.349	3	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	4:3:1:1:	3:4:3:	3:4:4:1:	N[6,6]-4:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-4:H-1:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	111.0035	0.139	2	110.6673	0.349	3	110.6673	0.349	3	110.6673	0.349	3	112.1187	1.393	12	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:4:3:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)2{2|H<1>,4|C<3>}	108.8830	0.287	2	108.8830	0.082	2	108.4253	0.670	3	108.4253	0.670	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:4:3:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]HH)(H)2{1|H<1>,4|C<3>}	107.5100	0.000	1	107.5100	0.000	1	108.4253	0.670	3	108.4253	0.670	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	3:4:4:4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)2{1|H<1>,4|C<3>}	110.5850	0.786	2	110.5850	0.618	2	110.5850	0.618	2	110.5850	0.618	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:B[6]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2	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>}	N[6](C[6]C[6,6a]HH)(B[6]O[6]CC)(H)2{2|C<3>}	110.1953	0.870	3	110.1953	0.756	3	110.1953	0.756	3	111.5523	1.597	8	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(H)2{3|C<3>}	111.8700	0.000	1	111.8700	0.000	1	112.3664	0.207	5	111.5523	1.597	8	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	112.8220	0.000	2	112.8220	0.000	2	112.3664	0.207	5	111.5523	1.597	8	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(H)2{2|C<3>,2|H<1>}	112.1590	0.281	2	112.1590	0.079	2	112.3664	0.207	5	111.5523	1.597	8	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:3:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:In[6]-4:C[6]-3:H-1:	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)	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(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>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]BrO)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	112.4070	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	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[5]-4:C[6]-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(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>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)(H){4|H<1>,5|C<3>}	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	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]-4:C-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	112.1750	0.000	1	112.1750	0.000	1	112.1057	0.883	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	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]-4:C-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC3)(H){1|H<1>,1|O<2>,2|C<3>}	113.0090	0.000	1	113.0090	0.000	1	112.1057	0.883	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	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]-4:C-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)(H){1|H<1>,1|O<2>,2|C<3>}	111.1330	0.000	1	111.1330	0.000	1	112.1057	0.883	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:In[6]-4:C[6]-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(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>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.3540	0.000	1	111.0925	0.137	2	111.1680	0.085	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:In[6]-4:C[6]-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(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>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]CC)(C[6]C[6]2H)(H){1|In<4>,1|N<3>,2|C<3>,2|C<4>,3|H<1>}	110.8310	0.000	1	111.0925	0.137	2	111.1680	0.085	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:In[6]-4:C[6]-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(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>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.1680	0.085	3	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	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)	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(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>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	112.3690	1.308	2	112.3690	1.711	2	112.3690	1.711	2	111.9784	0.948	9	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:B[6]-4:C-4:C-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)	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2	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>}	N[6](C[6]C[6,6a]HH)(B[6]N[6]FF)(CCCH)2{3|C<3>}	112.8360	0.000	1	112.8360	0.000	1	112.8360	0.000	1	114.7833	8.134	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	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]-4:C-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCHH)(CH3){2|C<3>,2|H<1>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	114.7833	8.134	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	4:4:4:4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:In[6]-4:C-4:C-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)	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2	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>}	N[6](C[6]C[6,6a]HH)(In[6]O[6]Cl2)(CCHH)2{2|C<3>}	118.0570	0.000	1	118.0570	0.000	1	118.0570	0.000	1	114.7833	8.134	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	5:4:3:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	In[6]-5:C[6]-4:C[6]-3:H-1:	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)	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(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>}	N[6](In[6]O[6]Br2O)(C[6]C[6,6a]HH)(C[6]C[6]2)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	113.5350	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	5:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	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)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(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>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	111.8415	0.271	2	111.8415	0.073	2	111.8415	0.073	2	112.3903	0.940	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	5:4:4:1:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	In[4,6]-5:C[6]-4:C[6]-4:H-1:	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)	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(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>}	N[6](In[4,6]O[4]2O[6]I)(C[6]C[6,6a]HH)(C[6]C[6]2H)(H){1|In<5>,1|N<3>,2|C<3>,2|C<4>,5|H<1>}	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	112.3903	0.940	3	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:1:1:	3:3:4:	5:4:4:4:	C[6,6a]-3:N[6]-4:H-1:H-1:	C[6,6,6a]-3:C[6a]-3:C[6]-4:	In[4,6]-5:C[6]-4:C-4:C-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)	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3)	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>}	N[6](In[4,6]O[4,6,6]O[4]Cl2)(C[6]C[6,6a]HH)(CCHH)(CH3){1|In<5>,2|C<3>}	116.7130	0.854	2	116.7130	0.730	2	116.7130	0.730	2	116.7130	0.730	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:2:1:	3:3:4:	5:4:4:1:	C[6,6a]-3:N[6]-4:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Ga[6,6]-5:C[6]-4:C-4:H-1:	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)	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H)	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>}	N[6](Ga[6,6]N[5]N[6]O[6]2)(C[6]C[6,6a]HO)(CCHH)(H){1|C<4>,1|N<3>,5|C<3>}	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:3:4:	3:4:4:4:	C[6,6a]-3:N[6]-4:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)2{1|H<1>,4|C<3>}	105.7180	0.542	2	105.7180	0.293	2	105.7180	0.293	2	105.7180	0.293	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:3:4:	6:4:4:4:	C[6,6a]-3:N[6]-4:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[6,6]-6:C[6]-4:C-4:C-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)	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2	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>}	N[6](Nb[6,6]N[6]O[6]2NN)(C[6]C[6,6a]HN)(CH3)2{5|C<3>}	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	112.5040	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	3:4:4:4:	C[6,6a]-3:N[6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(CH3)2{1|H<1>,6|C<3>}	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	108.3000	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:4:1:	3:3:4:	4:4:1:1:	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]-4:H-1:H-1:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]CH)(H)2{2|C<3>,2|H<1>}	109.0900	0.081	2	109.0900	0.006	2	109.0900	0.006	2	109.0900	0.006	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:1:	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]-4:C-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)(H){2|C<3>,2|H<1>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:4:	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]-4:C-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	109.1430	0.000	1	109.1430	0.000	1	109.3020	0.051	2	109.3020	0.051	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:4:1:	3:3:4:	4:4:4:4:	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]-4:C-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)2{2|C<3>,2|H<1>}	109.4610	0.000	1	109.4610	0.000	1	109.3020	0.051	2	109.3020	0.051	2	111.2478	6.728	43	111.3515	5.133	63
466	643	854	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:4:4:	3:3:4:	3:4:1:1:	C[6,6a]-3:N[6]-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6a]N[6a]C)(C[6]N[6]CC){3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)2{1|H<1>,4|C<3>}	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	111.2478	6.728	43	111.3515	5.133	63
466	643	856	0:SP3_SP2_SP2	C[3x6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[6]-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)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	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>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	108.7270	0.000	1	108.7950	0.009	2	108.7950	0.009	2	108.7950	0.009	2	109.5948	2.655	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	108.8630	0.000	1	108.7950	0.009	2	108.7950	0.009	2	108.7950	0.009	2	109.5948	2.655	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){1|C<4>,3|C<3>,4|H<1>}	110.2575	0.234	2	109.9947	3.783	4	109.9947	3.783	4	109.9947	3.783	4	109.5948	2.655	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[3x6]	C[6a]	N[6,6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:H-1:	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H)	C[3x6](C[6,6]C[6,6]HH)(N[6,6]C[6,6]H)2(C[6a]C[6a]2){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[6a](C[3x6]C[6,6]N[6,6]2)(C[6a]C[6a]H)2{1|C<4>,3|C<3>,6|H<1>}	N[6,6](C[3x6]C[6,6]N[6,6]C[6a])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	109.7320	3.319	2	109.9947	3.783	4	109.9947	3.783	4	109.9947	3.783	4	109.5948	2.655	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[4x6]	C[6,6a]	N[6,6]	3:4:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[3x6]-4:N[6,6]-3:N[6,6]-3:	C[4x6]-4:C[6,6a]-3:C[6a]-3:	C[4x6]-4:C[6,6]-3:H-1:	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H)	C[4x6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]C[6]H)(N[6,6]C[6,6]H)2{2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[4x6]C[3x6]N[6,6]2)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,3|C<3>,7|H<1>}	N[6,6](C[4x6]C[6,6a]C[3x6]N[6,6])(C[6,6]C[3x6]O)(H){2|C<4>,3|C<3>,3|H<1>}	110.9805	1.830	4	110.9805	3.348	4	110.9805	3.348	4	110.9805	3.348	4	110.9805	3.348	4	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|H<1>,5|C<3>}	113.5695	1.085	2	113.5695	1.178	2	113.5695	1.178	2	113.5695	1.178	2	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	113.4490	0.000	1	113.4490	0.000	1	113.4490	0.000	1	111.0758	2.509	5	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	109.4040	0.000	1	110.6135	2.926	2	110.4825	0.999	4	111.0758	2.509	5	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(H){5|C<3>}	111.8230	0.000	1	110.6135	2.926	2	110.4825	0.999	4	111.0758	2.509	5	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	110.3930	0.000	1	110.3930	0.000	1	110.4825	0.999	4	111.0758	2.509	5	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	110.3100	0.000	1	110.3100	0.000	1	110.4825	0.999	4	111.0758	2.509	5	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	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]-3:O-2:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:N-3:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	113.1265	1.555	2	113.1265	2.418	2	113.1265	2.418	2	113.1265	2.418	2	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C-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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,2|C<4>,4|C<3>}	113.9120	0.192	2	113.9120	0.037	2	113.9120	0.037	2	113.8460	0.168	4	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(CC[6a]HH){1|C<4>,4|C<3>}	113.7800	0.670	2	113.7800	0.449	2	113.7800	0.449	2	113.8460	0.168	4	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	113.3500	0.000	1	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:2:	3:4:3:	4:3:4:	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:C[6]-3:C-4:	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)	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3)	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>}	N[6](C[6,6]C[6,6a]N[6,6]O)(C[6]C[6,6a]O)(CH3){5|C<3>}	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	108.4270	7.036	2	108.4270	49.501	2	108.4270	49.501	2	108.4270	49.501	2	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[3x6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	109.4210	0.000	1	109.4210	0.000	1	109.4210	0.000	1	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[5a,6]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.0010	0.000	1	111.7238	0.759	5	111.7238	0.759	5	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[5a,6]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[5a,6]N[5a,6]N[5a])(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	111.9045	0.891	4	111.7238	0.759	5	111.7238	0.759	5	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	109.4370	0.000	1	109.4110	0.001	2	109.7207	0.288	3	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	109.3850	0.000	1	109.4110	0.001	2	109.7207	0.288	3	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<2>,6|C<3>}	110.3400	0.000	1	110.3400	0.000	1	109.7207	0.288	3	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	112.1780	0.000	1	112.1780	0.000	1	110.5205	3.167	6	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|H<1>,2|C<4>,3|C<3>}	111.7640	0.000	1	111.9295	0.055	2	110.5205	3.167	6	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	112.0950	0.000	1	111.9295	0.055	2	110.5205	3.167	6	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|C<4>,1|H<1>,4|C<3>}	109.6505	0.260	2	109.0287	1.194	3	110.5205	3.167	6	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]O)(H){1|H<1>,5|C<3>}	107.7850	0.000	1	109.0287	1.194	3	110.5205	3.167	6	110.6883	2.100	15	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]N[6]S)(CCO){1|C<4>,2|H<1>,3|C<3>}	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.5880	0.000	1	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:S-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	109.5745	0.316	2	109.5745	0.100	2	109.5745	0.100	2	109.5745	0.100	2	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	114.3420	0.000	1	111.5570	5.271	37	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	2:3:3:2:	4:3:3:	4:4:3:	O[6]-2:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a])	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O)	C[6,6](O[6]C[5,6,6])(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6,6a]){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6]N[6,6]O[6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[6a]O[6]2)(C[6]C[5,6,6]HH)(C[6]C[6,6a]O){1|H<1>,2|C<4>,4|C<3>}	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	113.6690	0.000	1	112.5258	3.340	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6a]N[6,6]C[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	109.5320	0.000	1	112.5258	3.340	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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[3x6]-4:C[6a]-3:	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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	114.5050	0.000	1	114.0945	0.337	2	114.0945	0.337	2	114.0945	0.337	2	112.5258	3.340	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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[3x6]-4:C[6a]-3:	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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|C<3>,7|H<1>}	113.6840	0.000	1	114.0945	0.337	2	114.0945	0.337	2	114.0945	0.337	2	112.5258	3.340	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6,6]	4:3:3:2:	4:3:3:	4:4:3:	C[6]-4:C[6a]-3:N[6,6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6])	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6]N[6,6]HH)(C[6a]C[6a]2)(N[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6,6]N[6,6]C[6]O[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6a]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|N<3>,1|O<2>,3|H<1>,4|C<3>}	111.8825	0.585	2	111.8825	0.342	2	111.8825	0.342	2	111.8825	0.342	2	112.5258	3.340	6	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	3:3:3:3:	4:3:2:	4:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:N[6a]-2:	C[6,6]-4:C[6,6]-4:H-1:	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[6,6]H)	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[6,6]C[3x6]C[6a]O[6])(H)	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[6,6]H){1|C<4>,1|H<1>,1|O<2>,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|C<4>,1|O<1>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H){1|C<4>,1|N<2>,1|O<1>,8|C<3>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:2:3:	4:3:3:	4:3:4:	C[6,6]-4:C[6a]-3:O[6]-2:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S)	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO)	C[6,6](C[6,6]C[6,6]CH)(C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]S){4|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|S<4>,2|C<4>,3|C<3>,3|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(SC[6a]OO){2|C<4>,2|H<1>,3|C<3>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]HH)(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[6,6a]){1|C<4>,3|H<1>,5|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6]C[6,6]C[6])(H){2|C<4>,4|C<3>,4|H<1>}	110.3930	0.252	2	110.3930	0.063	2	110.3930	0.063	2	110.3930	0.063	2	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>,4|C<4>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|H<1>,3|C<4>,5|C<3>}	109.4130	0.000	1	109.4130	0.000	1	111.1470	2.424	3	111.1470	2.424	3	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	112.4250	0.000	1	112.4250	0.000	1	111.1470	2.424	3	111.1470	2.424	3	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:3:4:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:C-4:	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[6,6]C[6,6]HH)(N[6]C[6,6a]C)(C[6a]C[6a]2)(O[6]C[6,6a]){3|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,3|H<1>,5|C<3>}	111.6030	0.000	1	111.6030	0.000	1	111.1470	2.424	3	111.1470	2.424	3	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:4:1:	C[3x6]-4:C[6a]-3:N[6]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:H-1:	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6])	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H)	C[6,6](C[3x6]C[6,6,6a]2C[6a])(C[6a]C[6a]2)(N[6]C[6,6]H)(O[6]C[5,6]){11|C<3>,3|H<1>}	C[6a](C[6,6]C[3x6]N[6]O[6])(C[6a]C[6a]H)2{2|C<4>,3|H<1>,4|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H){1|C<4>,1|N<2>,1|O<1>,8|C<3>}	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	108.7070	0.000	1	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6,6]	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:1:	C[6,6]-4:C[6a]-3:N[6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6,6]C[6,6]N[6]2)(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6a]C[6a]2)(N[6]C[6]H)2{2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6,6]C[6,6]N[6]2)(C[6a]C[6a]H)2{2|C<4>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6]C[6a]N[6])(C[6]N[6]O)(H){2|C<4>,3|C<3>,3|H<1>}	109.4230	3.813	2	109.4230	14.537	2	109.4230	14.537	2	109.4230	14.537	2	110.4002	3.005	10	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:2:	3:4:3:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6]-3:C[6]-4:C[6]-3:	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])	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6a]N[6]H)(C[6]C[6]H){1|N<3>,2|H<1>,2|N<2>,3|C<3>}	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	106.8510	0.000	1	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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[6,6]-3:C[6]-3:	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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	111.4477	0.797	3	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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[6,6]-3:C[6]-3:	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	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	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>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|H<1>,5|C<3>}	111.9155	0.530	2	111.9155	0.281	2	111.9155	0.281	2	111.4477	0.797	3	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6]-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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	110.5250	0.000	1	110.5250	0.000	1	111.2120	0.944	2	111.2120	0.944	2	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6]-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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	111.8990	0.000	1	111.8990	0.000	1	111.2120	0.944	2	111.2120	0.944	2	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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[6,6]-4:C[6]-3:	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)	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	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>}	N[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|O<1>,2|N<3>,3|C<3>,4|H<1>}	113.0730	0.373	3	113.0730	0.139	3	113.0730	0.139	3	112.5747	1.086	4	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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[6,6]-4:C[6]-3:	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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	111.0800	0.000	1	111.0800	0.000	1	111.0800	0.000	1	112.5747	1.086	4	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:4:1:	3:4:2:	3:4:3:	C[6a]-3:N[6,6]-3:C[6]-4:H-1:	C[5a,6a]-3:C[6]-4:N[6a]-2:	C[6,6]-3:C[6]-4:C[6]-3:	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])	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	107.0100	0.000	1	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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[6,6]-4:C[6]-3:	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	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O)	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>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.8710	0.000	1	110.9832	4.505	12	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:2:3:1:	3:3:4:	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]-4:C[6]-3:C-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]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH)	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]C[6a]N[6]H)(C[6]C[6,6a]H)(CC[6a]HH){4|C<3>}	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	109.6690	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	109.1130	0.000	1	109.1130	0.000	1	111.9595	16.205	2	111.9595	16.205	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	114.8060	0.000	1	114.8060	0.000	1	111.9595	16.205	2	111.9595	16.205	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:1:	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:H-1:	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)(H)	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)(H){3|C<3>}	111.5118	1.709	6	111.5118	2.922	6	111.4397	2.471	7	111.4397	2.471	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:1:	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:H-1:	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)(H)	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)(H){1|H<1>,3|C<3>}	111.0070	0.000	1	111.0070	0.000	1	111.4397	2.471	7	111.4397	2.471	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:3:3:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3: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[6a]C[6a]2)(C[6]C[6]C)	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[6a]C[6a]2)(C[6]C[6]C){3|H<1>,5|C<3>}	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	112.6040	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(H){1|H<1>,5|C<3>}	112.3190	0.867	2	112.3190	0.752	2	112.3190	0.752	2	112.3190	0.752	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]H)(CCH){1|C<4>,1|H<1>,4|C<3>}	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	113.5990	0.000	1	113.5990	0.000	1	114.7329	0.296	8	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	115.0330	0.000	1	114.8949	0.100	7	114.7329	0.296	8	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	114.4110	0.000	1	114.8949	0.100	7	114.7329	0.296	8	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){2|H<1>,6|C<3>}	114.9640	0.285	5	114.8949	0.100	7	114.7329	0.296	8	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	111.8330	0.000	1	112.0330	5.039	4	112.0330	5.039	4	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:S[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	112.0997	2.745	3	112.0330	5.039	4	112.0330	5.039	4	113.8329	3.330	12	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3)	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>}	N[6](C[6]C[6a]O[6]H)(C[6]N[6]H)(CC3){1|B<4>,1|C<4>,2|C<3>}	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.3970	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	112.8790	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:3:	4:3:3:	4:3:1:	C[6a]-3:N[6]-3:O[6]-2:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-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	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3)	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]O[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	111.9020	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:2:4:	4:3:3:	4:3:3:	C[6a]-3:N[6]-3:O[6]-2:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3)	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[6]O)(CCO)	C[6](C[6a]C[6a]2)(N[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]N[6]O[6]C)(C[6a]C[6a]H)2{2|H<1>,4|C<3>}	N[6](C[6]C[6a]O[6]C)(C[6]C[6]O)(CCO){4|C<3>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	110.5410	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	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)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	110.6680	0.000	1	110.6680	0.000	1	110.6680	0.000	1	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6]C[6,6]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<3>,5|C<3>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|Br<1>,2|C<4>,4|C<3>}	113.7930	0.000	1	113.7930	0.000	1	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	112.7990	0.000	1	112.7990	0.000	1	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	111.7395	0.357	2	111.7395	0.128	2	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	113.5270	0.421	2	113.2917	0.255	3	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	112.8210	0.000	1	113.2917	0.255	3	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	112.4620	0.000	1	112.1545	0.189	2	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	111.8470	0.000	1	112.1545	0.189	2	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	114.0670	0.000	1	114.0670	0.000	1	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	113.9700	0.000	1	113.9700	0.000	1	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|S<4>,2|H<1>,4|C<3>}	109.2475	0.394	2	109.2475	0.155	2	112.3682	2.631	13	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	113.0260	0.000	1	113.0260	0.000	1	114.2090	3.787	5	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	111.4260	0.000	1	111.4260	0.000	1	114.2090	3.787	5	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	115.3510	0.752	2	115.5310	0.380	3	114.2090	3.787	5	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	115.8910	0.000	1	115.5310	0.380	3	114.2090	3.787	5	112.6593	3.562	20	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:3:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(C[6a]C[6a]2){3|H<1>,8|C<3>}	114.4510	0.000	1	114.4510	0.000	1	114.4510	0.000	1	112.7875	5.534	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5a]-3:C[6]-4:C[6]-3:	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)	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O)	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>}	N[6](C[5a]N[5a]S[5a])(C[6]C[6a]N[6]H)(C[6]C[6,6a]O){1|H<1>,6|C<3>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	112.7875	5.534	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	113.4300	0.000	1	113.4300	0.000	1	114.4880	2.239	2	113.2634	2.536	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CH3){1|H<1>,1|O<1>,5|C<3>}	115.5460	0.000	1	115.5460	0.000	1	114.4880	2.239	2	113.2634	2.536	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5]HH){1|C<4>,1|H<1>,5|C<3>}	111.7535	0.149	2	111.7535	0.022	2	112.4470	1.454	3	113.2634	2.536	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	113.8340	0.000	1	113.8340	0.000	1	112.4470	1.454	3	113.2634	2.536	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:2:3:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	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)	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6])(CCO){2|C<4>,3|C<3>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	109.1650	0.000	1	109.1650	0.000	1	109.1650	0.000	1	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>,2|C<4>}	112.1593	0.675	4	112.1593	0.455	4	112.2034	0.861	9	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	111.3510	0.000	1	112.5850	1.838	3	112.2034	0.861	9	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<3>}	113.2020	1.179	2	112.5850	1.838	3	112.2034	0.861	9	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	111.7195	0.965	2	111.7195	0.932	2	112.2034	0.861	9	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	110.4920	0.000	1	110.4920	0.000	1	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	109.7780	0.000	1	109.9070	0.033	2	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|C<4>,4|C<3>}	110.0360	0.000	1	109.9070	0.033	2	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	113.4140	0.000	1	113.4140	0.000	1	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	109.9370	0.571	2	109.9370	0.326	2	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	112.5565	0.217	2	112.5783	0.025	3	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	112.6220	0.000	1	112.5783	0.025	3	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	112.1325	0.111	2	110.4890	3.606	4	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	108.8455	0.015	2	110.4890	3.606	4	111.0219	2.539	13	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:O-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|C<4>,4|C<3>}	108.7690	0.000	1	108.7690	0.000	1	108.6765	0.017	2	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:O-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]C)(O){1|H<1>,4|C<3>}	108.5840	0.000	1	108.5840	0.000	1	108.6765	0.017	2	111.1854	2.655	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	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]-3:N-2:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,4|C<3>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(CC[6a]O){2|H<1>,3|C<3>}	112.4375	1.172	2	112.4375	1.373	2	112.4375	1.373	2	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(CCC){5|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C[5a]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(C[5a]N[5a]2){2|H<1>,6|C<3>}	110.7940	0.000	1	110.7940	0.000	1	110.7940	0.000	1	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]H)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	109.2840	0.000	1	109.2840	0.000	1	109.6000	0.216	3	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]Pd)(C[6a]C[6a]2){1|H<1>,2|C<4>,6|C<3>}	109.7580	0.532	2	109.7580	0.283	2	109.6000	0.216	3	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,6|C<3>}	111.8270	0.000	1	111.8270	0.000	1	112.0832	0.483	14	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	112.1780	0.000	1	112.1029	0.517	13	112.0832	0.483	14	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,6|C<3>}	112.0967	0.751	12	112.1029	0.517	13	112.0832	0.483	14	111.5793	1.484	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	112.6460	0.001	2	112.6460	0.000	2	112.6460	0.000	2	111.5523	0.790	9	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[5,6,6]O)(CC[5a]HH){2|C<3>,2|C<4>,2|H<1>}	112.5540	0.000	1	112.5540	0.000	1	112.5540	0.000	1	111.5523	0.790	9	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3: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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	111.0208	0.496	6	111.0208	0.246	6	111.0208	0.246	6	111.5523	0.790	9	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(CCO){3|C<3>,3|H<1>}	114.1280	0.000	1	114.1280	0.000	1	114.1280	0.000	1	113.6165	0.523	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	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]-4:C[6a]-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	113.1050	0.000	1	113.1050	0.000	1	113.1050	0.000	1	113.6165	0.523	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:2:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,2|N<2>,4|C<3>}	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	114.3050	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:2:	4:3:2:	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]-3:N-2:	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])	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.9830	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,5|C<3>}	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	111.3020	0.000	1	111.3020	0.000	1	111.3020	0.000	1	111.6400	0.228	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,3|C<3>}	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	111.6400	0.228	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:2:3:	3:4:1:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[6a]-2:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	113.9260	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	111.1690	0.772	4	111.1690	0.596	4	111.0584	0.508	5	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	110.6160	0.000	1	110.6160	0.000	1	111.0584	0.508	5	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	111.7270	0.000	1	111.7270	0.000	1	111.7270	0.000	1	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	113.4310	0.000	1	113.4310	0.000	1	115.1485	5.900	2	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	116.8660	0.000	1	116.8660	0.000	1	115.1485	5.900	2	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	113.1117	0.428	3	113.1117	0.183	3	113.5320	0.550	5	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	114.6670	0.000	1	114.1625	0.509	2	113.5320	0.550	5	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(H){1|H<1>,6|C<3>}	113.6580	0.000	1	114.1625	0.509	2	113.5320	0.550	5	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	114.4560	0.000	1	114.4560	0.000	1	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	114.3260	0.000	1	114.3260	0.000	1	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	111.3710	0.000	1	111.3710	0.000	1	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	112.8150	0.000	1	112.8150	0.000	1	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	113.6060	0.000	1	113.6060	0.000	1	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	113.1985	1.227	2	113.1985	1.505	2	113.2816	1.327	7	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	115.3430	0.000	1	115.3430	0.000	1	115.3430	0.000	1	113.0138	2.763	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:	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	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	108.9760	0.000	1	108.9760	0.000	1	108.9760	0.000	1	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	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	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	115.0810	0.000	1	115.0810	0.000	1	115.0810	0.000	1	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO)	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>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(CHO){1|H<1>,5|C<3>}	111.5430	0.000	1	111.5430	0.000	1	111.5617	1.248	3	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){2|H<1>,5|C<3>}	112.6880	0.000	1	112.6880	0.000	1	111.5617	1.248	3	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CHO){2|H<1>,5|C<3>}	110.4540	0.000	1	110.4540	0.000	1	111.5617	1.248	3	111.1130	6.701	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(CCHH){1|H<1>,1|N<3>,5|C<3>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S-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	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|O<2>,5|C<3>}	107.3090	0.000	1	107.3090	0.000	1	107.3090	0.000	1	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,5|C<3>}	113.0830	0.000	1	113.0830	0.000	1	114.0330	1.056	3	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,1|O<2>,5|C<3>}	114.5080	0.871	2	114.5080	0.759	2	114.0330	1.056	3	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	108.5440	0.000	1	108.5440	0.000	1	109.1245	0.674	2	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|H<1>,1|N<3>,5|C<3>}	109.7050	0.000	1	109.7050	0.000	1	109.1245	0.674	2	111.0694	8.730	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	108.9500	0.737	2	108.9500	0.543	2	109.6065	1.107	4	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]N)(H){1|C<4>,1|H<1>,3|C<3>}	109.5370	0.000	1	109.5370	0.000	1	109.6065	1.107	4	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.9890	0.000	1	110.9890	0.000	1	109.6065	1.107	4	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	111.6510	0.000	1	111.6510	0.000	1	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	109.2510	0.000	1	109.2510	0.000	1	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	108.5560	0.000	1	108.5560	0.000	1	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	109.8450	0.000	1	109.8450	0.000	1	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	110.4080	0.000	1	110.4080	0.000	1	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	110.6825	0.009	2	110.6825	0.000	2	110.1537	1.055	7	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	110.6020	0.434	2	110.6020	0.188	2	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){4|C<3>}	110.8680	0.000	1	110.8680	0.000	1	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){4|C<3>}	111.4660	0.000	1	110.2574	3.536	5	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	109.9553	2.026	4	110.2574	3.536	5	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.8307	0.603	3	110.8307	0.363	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(H){6|C<3>}	109.9320	0.000	1	109.9320	0.000	1	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	109.4610	0.000	1	110.1187	0.652	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.4475	0.810	2	110.1187	0.652	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.1480	0.000	1	110.4155	0.143	2	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.6830	0.000	1	110.4155	0.143	2	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]N)(H){1|H<1>,4|C<3>}	110.0387	0.067	3	110.0387	0.004	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.3110	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	111.1120	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.0655	1.111	2	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	113.2160	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.6020	0.606	3	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	110.6980	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.5524	1.010	21	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	110.0650	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	112.2040	0.000	1	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	112.3402	0.649	5	110.8877	1.301	37	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,3|C<3>}	110.2450	0.000	1	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	109.6860	0.000	1	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	109.9360	0.000	1	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	108.6410	0.000	1	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.2577	0.452	3	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	110.6966	0.980	20	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|H<1>,4|C<3>}	108.7820	0.000	1	110.4284	0.996	28	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	111.4140	0.000	1	111.4140	0.000	1	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){2|H<1>,3|C<3>}	110.9147	0.703	3	110.9147	0.495	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]N)(H){1|H<1>,3|C<3>}	110.4820	0.000	1	110.4820	0.000	1	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,1|N<2>,3|C<3>}	113.0470	0.000	1	113.0470	0.000	1	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	110.8860	0.083	2	110.9310	0.010	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.0210	0.000	1	110.9310	0.010	3	110.6639	1.129	94	110.5896	1.157	105	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	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[6a]-3:Ge[6]-2:	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	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]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>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(Ge[6]N[6]){3|C<4>,6|C<3>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	111.5120	13.432	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	115.5940	0.000	1	115.5940	0.000	1	115.5940	0.000	1	111.5120	13.432	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,3|H<1>,6|C<3>}	108.5040	0.000	1	108.5040	0.000	1	108.5040	0.000	1	111.5120	13.432	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(CCO){1|C<4>,1|H<1>,5|C<3>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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[6a]-3:C[6]-3:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	113.0770	0.000	1	112.9200	0.049	2	112.9200	0.049	2	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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[6a]-3:C[6]-3:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|H<1>,6|C<3>}	112.7630	0.000	1	112.9200	0.049	2	112.9200	0.049	2	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	111.2580	0.000	1	111.2580	0.000	1	111.2580	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:S-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	113.0573	0.687	3	113.0573	0.472	3	113.0573	0.472	3	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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[6a]-3:C[6]-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:B-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(BC[6a]2){2|H<1>,3|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCH){1|H<1>,4|C<3>}	112.6030	0.000	1	112.6030	0.000	1	110.7480	1.689	5	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CCO){1|H<1>,4|C<3>}	110.7560	0.000	1	110.7560	0.000	1	110.7480	1.689	5	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CCO){1|H<1>,4|C<3>}	111.2470	0.000	1	111.2470	0.000	1	110.7480	1.689	5	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCC){2|H<1>,3|C<3>}	109.1940	0.000	1	109.1940	0.000	1	110.7480	1.689	5	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]C[6])(CCO){2|H<1>,5|C<3>}	109.9400	0.000	1	109.9400	0.000	1	110.7480	1.689	5	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,6|C<3>}	112.9150	0.000	1	112.9150	0.000	1	113.6525	1.088	2	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	114.3900	0.000	1	114.3900	0.000	1	113.6525	1.088	2	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]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>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	115.2730	0.173	2	115.7350	0.655	3	115.7350	0.655	3	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:S[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]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>}	N[6](C[6]C[6a]S[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	116.6590	0.000	1	115.7350	0.655	3	115.7350	0.655	3	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	115.7850	0.000	1	115.7850	0.000	1	115.7850	0.000	1	112.2179	6.571	21	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(SC[6a]OO){1|C<4>,4|C<3>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	108.0970	0.000	1	108.0970	0.000	1	109.2832	2.627	4	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	107.7750	0.000	1	107.7750	0.000	1	109.2832	2.627	4	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	111.1640	0.000	1	111.1640	0.000	1	109.2832	2.627	4	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	110.0970	0.000	1	110.0970	0.000	1	109.2832	2.627	4	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	107.2540	0.000	1	107.2540	0.000	1	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	111.6662	0.454	5	111.7450	0.202	6	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	112.1390	0.000	1	111.7450	0.202	6	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	112.3590	0.000	1	112.3590	0.000	1	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	112.4770	0.000	1	112.4450	0.179	4	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	112.7500	0.000	1	112.4450	0.179	4	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	112.2765	0.622	2	112.4450	0.179	4	111.6553	2.178	12	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	108.8920	0.000	1	108.8920	0.000	1	111.1144	0.986	8	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CC[6a]2H){1|C<4>,4|C<3>}	111.4710	0.000	1	111.4710	0.000	1	111.1144	0.986	8	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[5a]HH){4|C<3>}	110.8960	0.000	1	110.8960	0.000	1	111.1144	0.986	8	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(CC[6a]HH){4|C<3>}	111.4890	0.000	1	111.4890	0.000	1	111.1144	0.986	8	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6])(CC[6a]HH){1|N<3>,1|O<1>,4|C<3>}	111.5418	0.553	4	111.5418	0.306	4	111.1144	0.986	8	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(SC[6a]OO){1|H<1>,4|C<3>}	112.0370	0.000	1	112.0370	0.000	1	112.0370	0.000	1	111.1730	2.218	27	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	110.0960	0.000	2	110.0960	0.000	2	110.0960	0.000	2	110.8528	11.084	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:O-1:	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	N[6](C[6]C[6,6a]C[6a]H)2(O)	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>}	N[6](C[6]C[6,6a]C[6a]H)2(O){7|C<3>}	111.6095	5.564	2	111.6095	30.961	2	111.6095	30.961	2	110.8528	11.084	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	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-4:N[6]-2:	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	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]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>}	N[6](C[6]C[5a,6]C[6a]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	111.1150	0.000	1	111.1150	0.000	1	111.1150	0.000	1	111.9017	0.978	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	111.5780	0.000	1	111.5780	0.000	1	111.5780	0.000	1	111.9017	0.978	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	C[6a]-3:C[6]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:N[6]-2:	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	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[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>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){4|C<3>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	111.9017	0.978	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(COO){1|N<2>,2|H<1>,3|C<3>}	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,4|C<3>}	110.8840	0.000	1	110.8840	0.000	1	110.7875	0.019	2	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(COO){2|H<1>,4|C<3>}	110.6910	0.000	1	110.6910	0.000	1	110.7875	0.019	2	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	109.4530	0.000	1	109.4530	0.000	1	111.6860	3.922	3	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	112.8025	0.605	2	112.8025	0.366	2	111.6860	3.922	3	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCC)	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>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	115.9510	0.000	1	115.9510	0.000	1	112.6134	3.630	10	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	112.0072	1.454	5	112.0240	1.694	6	112.6134	3.630	10	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	112.1080	0.000	1	112.0240	1.694	6	112.6134	3.630	10	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	113.9800	0.905	2	113.9800	0.819	2	112.6134	3.630	10	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.0790	0.000	1	110.0790	0.000	1	112.6134	3.630	10	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:S-3:	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	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|H<1>,8|C<3>}	112.9350	0.000	1	112.6363	0.490	11	112.6363	0.490	11	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	112.6064	0.730	10	112.6363	0.490	11	112.6363	0.490	11	112.3228	2.080	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO){5|C<3>}	111.7690	0.000	1	111.7690	0.000	1	111.7690	0.000	1	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	113.1760	0.000	1	113.1760	0.000	1	113.2510	0.011	2	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	113.3260	0.000	1	113.3260	0.000	1	113.2510	0.011	2	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[4,6]HH)(SC[6a]OO){5|C<3>}	108.5600	0.000	1	108.5600	0.000	1	108.5600	0.000	1	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	109.1040	0.000	1	109.1040	0.000	1	109.1040	0.000	1	111.4428	4.415	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:5:1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6,6]-5:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:2:	3:4:3:	N[6]-3:C[6a]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]O)(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:1:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	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	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|H<1>,1|N<2>,3|C<3>}	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	109.5700	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	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)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	109.3940	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){1|Cl<1>,1|C<4>,1|H<1>,5|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	109.0440	0.000	1	109.0440	0.000	1	111.0820	5.014	4	111.0820	5.014	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|H<1>,5|C<3>}	113.6910	0.000	1	111.7613	4.751	3	111.0820	5.014	4	111.0820	5.014	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:4:	C[6a]-3:C[6a]-3:N[6]-3:O[6]-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6])	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH)	C[6](C[6a]C[6a]2)2(N[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[6a](C[6]C[6a]N[6]O[6])(C[6a]C[6a]H)2{1|C<4>,2|H<1>,5|C<3>}	N[6](C[6]C[6a]2O[6])(C[6]C[6]O)(CCHH){1|C<4>,5|C<3>}	110.7965	1.979	2	111.7613	4.751	3	111.0820	5.014	4	111.0820	5.014	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	108.7325	2.227	2	108.7325	4.958	2	108.7325	4.958	2	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6a](C[6]C[6,6a]C[6a]N[6])(C[6a]C[6a]H)2{1|O<1>,2|H<1>,6|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	107.1715	2.594	2	107.1715	6.731	2	107.1715	6.731	2	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{4|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(H){1|H<1>,1|N<2>,7|C<3>}	108.5135	4.388	2	108.5135	19.251	2	108.5135	19.251	2	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H)	C[6](C[6a]C[6a]2)2(N[6]C[5,6]H)(C[6]C[6]H){1|Re<6>,1|N<3>,1|S<2>,4|C<3>,4|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	107.8805	3.507	2	107.8805	12.296	2	107.8805	12.296	2	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[6a]-3:C[6a]-3:N[6]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O)	C[6](C[6a]C[6a]2)2(N[6]C[6,6]O)(C[6]C[6]H){1|C<4>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	107.8755	1.631	4	107.8755	2.659	4	107.8755	2.659	4	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)2(C[6]C[6]H){1|O<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6a]2C[6])(H){1|H<1>,7|C<3>}	108.1560	2.152	2	108.1560	4.633	2	108.1560	4.633	2	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(O){2|H<1>,7|C<3>}	107.0648	1.804	4	107.0648	3.255	4	107.0648	3.255	4	107.8149	4.212	18	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:3:	N[6]-3:C[6]-3:C[6a]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO)	C[6](N[6]C[6,6a]C)(C[6]C[5,6]H)(C[6a]C[6a]2)(NCH){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6]N)(COO){2|H<1>,5|C<3>}	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	110.2780	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:P-4:	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3)	C[6](N[6]C[6,6a]P)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|P<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(PO3){2|H<1>,7|C<3>}	111.0397	1.271	4	111.0397	1.616	4	111.0397	1.616	4	111.0397	1.616	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	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[6]-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	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(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>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	111.0500	0.000	1	111.0500	0.000	1	111.0500	0.000	1	109.4737	7.607	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)2(C[6]C[6]H)(N[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{4|H<1>,5|C<3>}	N[6](C[6]C[6a]2C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	108.6855	3.389	2	108.6855	11.486	2	108.6855	11.486	2	109.4737	7.607	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)2(C[6]C[6]H){5|H<1>,8|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{3|H<1>,6|C<3>}	N[6](C[6]C[6a]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,8|C<3>}	110.2707	1.068	4	110.2707	1.140	4	110.2707	1.140	4	110.2707	1.140	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	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	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	110.3925	0.190	2	110.3925	0.036	2	110.3925	0.036	2	110.2262	0.126	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:4:	C[6]-3:C[6a]-3:N[6]-3:N-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH)	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(N[6]C[6]C)(NHH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6]C[6]N[6]N)(C[6a]C[6a]H)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]N)(C[6]C[6,6a]O)(CC[6a]HH){1|O<1>,4|C<3>}	110.0600	0.479	2	110.0600	0.230	2	110.0600	0.230	2	110.2262	0.126	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-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	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	106.7270	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	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	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	108.4210	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	111.0660	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	3:3:4:	4:3:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	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[6,6a]O)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6,6a]O)(H){1|H<1>,4|C<3>}	110.7983	0.146	3	110.7983	0.021	3	110.7983	0.021	3	110.7983	0.021	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	3:3:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	112.9110	4.524	2	112.9110	20.467	2	112.9110	20.467	2	112.9110	20.467	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	3:4:3:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H)	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6a]C[5a,6a]H)(C[6]C[6]N[6]C)(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	107.4660	0.539	2	107.4660	0.290	2	107.4660	0.290	2	107.4660	0.290	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:2:	3:4:1:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C[6a](C[6]N[5,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	109.9340	0.000	1	109.9340	0.000	1	109.9340	0.000	1	110.5175	0.681	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:2:	3:4:1:	N[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<2>,6|C<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,1|N<2>,5|C<3>}	111.1010	0.000	1	111.1010	0.000	1	111.1010	0.000	1	110.5175	0.681	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<2>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<2>,6|C<3>}	110.3440	0.000	1	110.3440	0.000	1	110.3440	0.000	1	109.9278	3.742	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	107.0840	0.000	1	107.0840	0.000	1	107.0840	0.000	1	109.9278	3.742	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(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]C)(H){1|C<2>,1|H<1>,5|C<3>}	111.1415	0.139	2	111.1415	0.019	2	111.1415	0.019	2	109.9278	3.742	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6a](C[6]C[6,6a]N[6]C)(C[6a]C[6a,6a]O)(C[6a]C[6a]H){2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	107.9940	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:3:4:	C[6a]-3:C[6]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3)	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]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|H<1>,3|C<3>,3|C<4>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	108.6670	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	3:4:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	3:4:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.3350	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	3:4:3:	3:4:4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,6|C<3>}	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	112.7010	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:2:	3:4:4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:S-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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	110.5050	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-3:C[6]-4:H-1:	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	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.7170	0.000	1	112.7170	0.000	1	112.7170	0.000	1	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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)	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	109.5100	0.000	1	109.5100	0.000	1	108.7593	1.291	6	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	106.9300	0.000	1	107.9337	1.143	3	108.7593	1.291	6	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	108.4355	0.880	2	107.9337	1.143	3	108.7593	1.291	6	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.4370	0.000	1	109.4370	0.000	1	108.7593	1.291	6	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){2|H<1>,5|C<3>}	109.8080	0.000	1	109.8080	0.000	1	108.7593	1.291	6	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	110.3400	0.000	1	111.8140	3.393	3	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	111.2230	0.000	1	111.8140	3.393	3	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	113.8790	0.000	1	111.8140	3.393	3	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,2|F<1>,4|C<3>}	111.2950	0.000	1	111.2950	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	110.4800	0.000	1	110.4800	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	111.1510	0.000	1	111.1510	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	108.9805	0.196	2	109.4280	0.601	5	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	110.0860	0.000	1	109.4280	0.601	5	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	110.4140	0.000	1	109.4280	0.601	5	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	108.6790	0.000	1	109.4280	0.601	5	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	109.3730	0.000	1	109.3730	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.0430	0.000	1	111.0430	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	111.0050	1.488	2	112.8710	11.553	3	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	116.6030	0.000	1	112.8710	11.553	3	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	111.8270	0.000	1	111.8270	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|S<2>,2|H<1>,5|C<3>}	109.8110	0.000	1	109.8110	0.000	1	110.8986	3.652	18	110.4579	3.935	25	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C-3:	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	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[5,6]N[5,6]S[5])(C[6]C[6a]C[6]H)(CCO){1|H<1>,2|C<4>,4|C<3>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-3:C[6]-4:C[6a]-3:	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	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)	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>}	N[6](C[5,6]C[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2){2|O<2>,4|H<1>,6|C<3>}	114.2640	0.000	1	114.2640	0.000	1	114.2640	0.000	1	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	110.8410	0.000	1	110.8410	0.000	1	112.1566	1.136	5	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]O){1|C<4>,2|H<1>,5|C<3>}	111.2570	0.000	1	111.2570	0.000	1	112.1566	1.136	5	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){3|H<1>,5|C<3>}	112.4120	0.000	1	112.4120	0.000	1	112.1566	1.136	5	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|C<4>,3|H<1>,4|C<3>}	113.0390	0.000	1	113.0390	0.000	1	112.1566	1.136	5	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CCO){1|S<2>,3|H<1>,4|C<3>}	113.2340	0.000	1	113.2340	0.000	1	112.1566	1.136	5	112.3230	1.613	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,6|C<3>}	111.6213	0.454	3	111.6213	0.206	3	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	113.5220	0.000	1	113.5220	0.000	1	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	112.2540	0.000	1	112.2540	0.000	1	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	111.9570	0.061	2	111.9570	0.004	2	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	112.0830	0.000	1	112.0830	0.000	1	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){2|H<1>,2|O<2>,4|C<3>}	114.7495	0.926	2	114.7495	0.857	2	112.6136	1.716	10	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|F<1>,1|H<1>,6|C<3>}	113.1160	0.000	1	113.1160	0.000	1	112.7350	0.290	2	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	112.3540	0.000	1	112.3540	0.000	1	112.7350	0.290	2	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3: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)(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)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	117.6770	0.000	1	117.6770	0.000	1	117.6770	0.000	1	113.0218	3.270	13	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	112.9385	0.166	2	112.7620	0.107	3	112.5318	0.284	4	114.1210	6.232	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|C<3>,5|H<1>}	112.4090	0.000	1	112.7620	0.107	3	112.5318	0.284	4	114.1210	6.232	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:N[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(N[6]C[6]){1|N<3>,4|H<1>,5|C<3>}	111.8410	0.000	1	111.8410	0.000	1	112.5318	0.284	4	114.1210	6.232	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	117.3360	0.000	1	117.3360	0.000	1	117.2995	0.003	2	114.1210	6.232	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	117.2630	0.000	1	117.2630	0.000	1	117.2995	0.003	2	114.1210	6.232	6	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	110.4285	0.558	2	111.2258	1.705	5	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	110.0730	0.000	1	111.2258	1.705	5	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){4|H<1>,6|C<3>}	112.5995	0.367	2	111.2258	1.705	5	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	112.7430	0.000	1	112.7430	0.000	1	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]S[6]N){4|H<1>,5|C<3>}	112.5890	0.000	1	112.5890	0.000	1	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	111.8260	0.000	1	111.8750	0.005	2	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<4>,5|C<3>,5|H<1>}	111.9240	0.000	1	111.8750	0.005	2	111.7103	1.103	10	111.7103	1.103	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[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)	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	118.3790	0.000	1	118.3790	0.000	1	115.6805	14.564	2	115.6805	14.564	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	112.9820	0.000	1	112.9820	0.000	1	115.6805	14.564	2	115.6805	14.564	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-4:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,2|H<1>,3|C<3>,4|C<4>}	113.7310	0.000	1	113.8340	0.038	3	113.8340	0.038	3	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[5]-4:C[6]-3:	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	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[5]C[5]O[5]H)(C[6]N[6]O){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	113.8855	0.245	2	113.8340	0.038	3	113.8340	0.038	3	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	117.0440	0.000	1	117.0440	0.000	1	113.8967	1.179	19	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	114.1715	0.785	4	114.1715	0.616	4	113.8967	1.179	19	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){2|C<4>,5|H<1>,6|C<3>}	113.0475	0.518	4	113.5934	0.607	14	113.8967	1.179	19	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)2(C[6a]C[6a]2){4|H<1>,8|C<3>}	113.8117	0.776	10	113.5934	0.607	14	113.8967	1.179	19	113.8881	1.015	22	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	4:3:1:	C[5a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]2)(C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H){1|S<2>,2|O<1>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a]C[6]N[6])(C[6a]C[6a]H)2{5|C<3>,5|H<1>}	N[6](C[6]C[5a]C[6a]C[6])(C[6]C[6]O)(H){1|S<2>,2|H<1>,5|C<3>}	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	110.6550	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:4:	4:3:3:	3:4:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)(CCHH){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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(COO){1|C<4>,3|H<1>,4|C<3>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:4:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-4:	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6a]C[6a]2)(C[6]C[6]CC)(CH3){4|C<3>,4|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(CH3){1|C<4>,1|H<1>,6|C<3>}	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	109.8600	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:3:4:4:	4:3:3:	4:3:3:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	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[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|H<1>,6|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{4|C<3>,4|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6a]C[6a]2)(C[6]C[6]H){4|H<1>,6|C<3>}	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	110.6280	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	3:4:1:	C[6a]-3:C[6,6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	112.4670	0.000	2	112.4670	0.000	2	112.4670	0.000	2	112.4670	0.000	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	3:4:3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	112.9390	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	112.2890	0.000	1	112.4715	0.067	2	112.4715	0.067	2	112.4715	0.067	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|C<4>,3|H<1>}	112.6540	0.000	1	112.4715	0.067	2	112.4715	0.067	2	112.4715	0.067	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:3:4:	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]-3:C-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])	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,1|N<2>,4|C<3>}	113.6300	0.687	2	113.6300	0.472	2	113.6300	0.472	2	113.6300	0.472	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	3:4:1:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	110.9290	0.000	1	111.3440	0.344	2	111.3440	0.344	2	111.3440	0.344	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	3:4:1:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,6|C<3>}	111.7590	0.000	1	111.3440	0.344	2	111.3440	0.344	2	111.3440	0.344	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6,6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	111.6020	1.111	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S-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	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Br<1>,1|C<4>,1|O<2>,5|C<3>}	112.2310	0.000	1	112.2310	0.000	1	112.2105	0.001	2	111.6020	1.111	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	3:4:4:	N[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:S-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	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6a]C[6]H)(SC[6a]OO){1|Cl<1>,1|C<4>,1|O<2>,5|C<3>}	112.1900	0.000	1	112.1900	0.000	1	112.2105	0.001	2	111.6020	1.111	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:2:3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-2:C-3:	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	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6])(CCO){1|C<4>,2|H<1>,3|C<3>}	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	112.1580	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<2>,1|C<4>,3|C<3>}	110.7380	0.000	1	110.7380	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	111.9880	0.000	1	111.9880	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	110.1620	0.341	2	110.1620	0.116	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	110.9480	0.000	1	110.9480	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	112.6600	0.000	1	112.6600	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	110.9350	0.000	1	110.9350	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	110.5970	0.000	1	110.3459	0.462	10	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	110.3180	0.715	9	110.3459	0.462	10	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|H<1>,3|C<3>}	111.8290	0.000	1	111.8290	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	110.2040	0.000	1	110.2040	0.000	1	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	109.7520	0.000	1	109.8100	0.007	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	109.8680	0.000	1	109.8100	0.007	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	111.5555	1.261	4	111.7932	1.476	5	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	112.7440	0.000	1	111.7932	1.476	5	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]S[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	109.7420	0.305	3	109.7420	0.093	3	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.7660	0.000	1	110.7365	2.120	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|H<1>,1|N<3>,3|C<3>}	109.7070	0.000	1	110.7365	2.120	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|S<2>,1|S<4>,2|C<3>}	110.3130	1.468	2	110.3130	2.155	2	110.6968	1.070	33	110.6968	1.070	33	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	113.2565	0.514	2	113.2565	0.264	2	113.2565	0.264	2	112.0420	1.427	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){2|H<1>,3|C<4>,5|C<3>}	111.0000	0.000	1	111.0000	0.000	1	111.2323	0.264	3	112.0420	1.427	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,4|H<1>,5|C<3>}	111.8210	0.000	1	111.8210	0.000	1	111.2323	0.264	3	112.0420	1.427	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){2|C<4>,4|H<1>,5|C<3>}	110.8760	0.000	1	110.8760	0.000	1	111.2323	0.264	3	112.0420	1.427	5	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,3|C<3>,3|H<1>}	111.6710	0.000	1	111.6710	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,3|C<3>,3|H<1>}	111.6780	0.000	1	111.6780	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,3|C<3>,3|H<1>}	110.5695	0.415	2	110.5695	0.172	2	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	111.7810	1.131	2	111.7810	1.280	2	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>,4|H<1>}	112.9980	0.501	2	112.9980	0.251	2	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<4>,2|H<1>,3|C<3>}	114.8410	0.000	1	113.9953	0.664	3	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|Si<4>,2|H<1>,3|C<3>}	113.9300	0.000	1	113.9953	0.664	3	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CC[6a]CH){2|H<1>,4|C<3>}	113.2150	0.000	1	113.9953	0.664	3	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){2|H<1>,4|C<3>}	113.2270	0.000	1	113.2270	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	111.8720	0.000	1	112.2690	0.315	2	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.6660	0.000	1	112.2690	0.315	2	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	109.7110	0.000	1	109.7110	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|N<3>,3|C<3>,3|H<1>}	112.4070	0.000	1	112.4070	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	111.8570	0.000	1	111.8570	0.000	1	112.2219	1.745	17	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(SC[6a]OO){3|C<3>,3|H<1>}	111.7380	0.000	1	111.7380	0.000	1	111.8870	0.044	2	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	112.0360	0.000	1	112.0360	0.000	1	111.8870	0.044	2	112.1866	1.565	19	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){2|H<1>,5|C<3>}	111.6300	0.000	1	111.6300	0.000	1	111.0077	2.079	3	110.5352	2.279	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|H<1>,3|C<4>,4|C<3>}	110.6965	1.892	2	110.6965	3.578	2	111.0077	2.079	3	110.5352	2.279	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	109.1180	0.000	1	109.1180	0.000	1	109.1180	0.000	1	110.5352	2.279	4	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:N[6]-2:	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)	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[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>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(N[6]N[6]){1|C<4>,2|C<3>,2|H<1>}	111.6670	0.000	1	111.6670	0.000	1	111.6670	0.000	1	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	109.7250	0.000	1	109.7250	0.000	1	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	112.2265	2.658	2	112.2265	7.065	2	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	111.2300	0.000	1	111.3710	0.187	4	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	111.5570	0.646	2	111.3710	0.187	4	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	111.1400	0.000	1	111.3710	0.187	4	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	113.6670	0.000	1	112.8987	0.540	3	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){1|C<4>,3|H<1>,5|C<3>}	112.8270	0.000	1	112.8987	0.540	3	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|C<4>,2|H<1>,5|C<3>}	112.2020	0.000	1	112.8987	0.540	3	111.8358	1.969	10	111.8205	1.775	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	110.5803	0.651	7	110.7430	0.575	8	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	111.8820	0.000	1	110.7430	0.575	8	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	112.8640	0.000	1	112.8640	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CHO)	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>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	111.3055	0.220	2	111.3055	0.048	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CNO)	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>}	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	109.5400	0.000	1	109.5400	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	112.8635	2.587	2	112.8635	6.694	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	111.3795	1.272	2	111.3795	1.618	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]O){1|C<4>,2|H<1>,4|C<3>}	112.7930	0.000	1	112.7930	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	110.4190	0.000	1	112.3889	0.648	32	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	112.0480	0.000	1	112.3889	0.648	32	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	112.4868	0.921	13	112.3889	0.648	32	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	112.5163	0.641	14	112.3889	0.648	32	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,3|H<1>,4|C<3>}	112.1410	0.110	3	112.3889	0.648	32	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[3]O){1|C<4>,3|H<1>,5|C<3>}	112.6515	0.152	2	112.6515	0.023	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	112.3420	0.000	1	112.3420	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CHO)	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>}	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	111.3933	0.557	3	111.4812	0.172	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CHO)	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>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	111.6130	0.091	2	111.4812	0.172	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(COO)	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>}	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	112.6590	0.000	1	112.6590	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){3|C<3>,4|H<1>}	113.8070	0.000	1	113.8070	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCC)	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>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,6|C<3>}	111.4110	0.000	1	111.4110	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CC[6a]O){2|C<4>,2|H<1>,3|C<3>}	112.1090	0.000	1	112.1090	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<4>,2|H<1>,3|C<3>}	111.8590	0.000	1	111.8590	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	113.6390	0.197	2	113.6390	0.039	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|F<1>,2|C<3>,3|H<1>}	111.3290	0.238	2	112.3302	1.057	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.3670	0.115	2	112.3302	1.057	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	112.2590	0.000	1	112.3302	1.057	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	114.2450	0.000	1	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){4|H<1>,5|C<3>}	112.7835	1.549	2	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	112.2850	0.000	1	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	113.0162	0.612	13	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	113.3410	0.747	7	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){4|H<1>,5|C<3>}	113.0230	0.464	2	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,3|H<1>,4|C<3>}	114.5507	0.318	3	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	111.4330	0.000	1	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,2|H<1>,5|C<3>}	110.6130	0.000	1	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|H<1>,6|C<3>}	112.5628	1.424	5	113.0348	1.086	36	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[3]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[3]O){1|C<4>,3|H<1>,5|C<3>}	112.5920	0.192	2	112.5920	0.037	2	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){1|C<4>,3|H<1>,5|C<3>}	112.9140	0.000	1	112.1833	0.337	4	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|C<4>,2|H<1>,5|C<3>}	112.0020	0.000	1	112.1833	0.337	4	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]O){2|H<1>,6|C<3>}	111.9085	0.542	2	112.1833	0.337	4	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CHO)	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>}	N[6](C[6]C[6a]C[6]H)2(CHO){1|C<4>,3|H<1>,5|C<3>}	112.1567	0.826	3	111.8448	0.536	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CHO)	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>}	N[6](C[6]C[6a]C[6]H)2(CHO){2|C<4>,2|H<1>,5|C<3>}	111.3770	0.226	2	111.8448	0.536	5	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CNO)	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>}	N[6](C[6]C[6a]C[6]H)2(CNO){2|C<4>,2|H<1>,5|C<3>}	113.6080	0.000	1	113.6080	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(COO)	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>}	N[6](C[6]C[6a]C[6]H)2(COO){4|H<1>,5|C<3>}	112.1050	0.255	2	112.2560	0.101	3	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(COO)	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>}	N[6](C[6]C[6a]C[6]H)2(COO){2|C<4>,3|H<1>,4|C<3>}	112.5580	0.000	1	112.2560	0.101	3	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.0910	0.000	1	113.0910	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.0920	0.000	1	111.0920	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.4060	0.000	1	111.4060	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCO){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	113.0930	0.000	1	113.0930	0.000	1	112.3868	1.192	124	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:S-3:	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	N[6](C[6]C[6a]C[6]H)2(SC[6a]O)	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>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]O){2|H<1>,6|C<3>}	112.4330	0.000	1	112.4330	0.000	1	112.4330	0.000	1	112.3872	1.182	125	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	110.0800	0.000	1	110.0775	0.000	2	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.0750	0.000	1	110.0775	0.000	2	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.7730	0.000	1	110.2036	1.324	5	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.3850	0.000	1	110.2036	1.324	5	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	108.8760	0.000	1	110.2036	1.324	5	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	111.7190	0.000	1	110.2036	1.324	5	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	109.2650	0.000	1	110.2036	1.324	5	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	113.2260	0.000	1	113.2260	0.000	1	110.5499	1.929	8	110.5499	1.929	8	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:2:	4:3:3:	4:3:1:	C[6a]-3:C[6]-4:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3: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	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(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>}	N[6](C[6]C[6a]C[6]O)(C[6]N[6]S)(H){1|C<4>,2|C<3>,3|H<1>}	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	109.2720	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:3:	4:3:3:	4:3:1:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-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	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	111.3450	0.083	2	111.3450	0.007	2	111.3450	0.007	2	111.3450	0.007	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:3:	4:3:3:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-3:	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	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO)	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>}	N[6](C[6]C[6a]C[6]C)(N[6]C[6]C)(COO){1|C<4>,3|C<3>,3|H<1>}	113.4840	0.000	1	113.4840	0.000	1	113.4840	0.000	1	113.4840	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	3:4:3:4:	4:3:3:	4:3:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3)	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]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{3|C<3>,5|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<2>,2|H<1>,3|C<3>}	111.8745	0.315	2	111.8745	0.099	2	111.8745	0.099	2	111.8745	0.099	2	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	3:4:1:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	110.5220	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|N<2>,6|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.2340	0.000	1	110.2340	0.000	1	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.2375	0.153	2	110.2375	0.024	2	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	110.1130	0.000	1	110.8654	0.740	7	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.7120	0.939	4	110.8654	0.740	7	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|Br<1>,1|H<1>,2|C<4>,4|C<3>}	111.2350	0.000	1	110.8654	0.740	7	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	111.8620	0.000	1	110.8654	0.740	7	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	109.6630	0.000	1	109.1875	0.452	2	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|C<4>,1|O<2>,6|C<3>}	108.7120	0.000	1	109.1875	0.452	2	110.4285	0.858	12	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	109.2830	0.000	1	109.2830	0.000	1	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.0860	0.024	2	109.0860	0.001	2	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.6653	0.750	4	111.0117	3.279	6	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	109.1290	0.000	1	111.0117	3.279	6	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,2|H<1>,5|C<3>}	114.2800	0.000	1	111.0117	3.279	6	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	113.4410	0.000	1	113.4410	0.000	1	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	109.7950	0.000	1	109.7950	0.000	1	110.6146	3.245	11	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	110.8535	0.588	2	110.8535	0.345	2	112.1962	2.641	4	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	113.9660	0.000	1	113.9660	0.000	1	112.1962	2.641	4	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	113.1120	0.000	1	113.1120	0.000	1	112.1962	2.641	4	110.7075	2.304	28	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CCO){2|C<4>,2|H<1>,4|C<3>}	111.9150	0.000	1	111.9150	0.000	1	111.9150	0.000	1	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(CCO){1|C<4>,2|H<1>,5|C<3>}	111.1420	0.000	1	111.1420	0.000	1	111.9518	0.480	4	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	112.7960	0.000	1	112.2217	0.282	3	111.9518	0.480	4	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(COO){1|C<4>,2|H<1>,5|C<3>}	111.9345	0.264	2	112.2217	0.282	3	111.9518	0.480	4	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){1|B<3>,1|C<4>,2|H<1>,4|C<3>}	112.4170	0.000	1	112.4170	0.000	1	111.9075	0.519	2	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:3:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(COO){2|H<1>,6|C<3>}	111.3980	0.000	1	111.3980	0.000	1	111.9075	0.519	2	111.9339	0.327	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	110.8067	6.004	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){2|C<4>,2|H<1>,4|C<3>}	109.4560	0.000	1	109.4560	0.000	1	109.3925	0.008	2	110.8067	6.004	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:4:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(SC[6a]OO){1|C<4>,2|H<1>,5|C<3>}	109.3290	0.000	1	109.3290	0.000	1	109.3925	0.008	2	110.8067	6.004	3	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[3,6]C[6a]H)(C[6]C[6,6a]O)(H){2|C<4>,4|C<3>}	112.3575	0.794	2	112.3575	0.631	2	112.3575	0.631	2	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]O[6]O)(H){2|C<4>,3|C<3>}	110.5330	0.000	1	110.5330	0.000	1	110.5330	0.000	1	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]S)(H){2|C<3>,2|C<4>,2|H<1>}	108.9160	0.000	1	108.9160	0.000	1	110.9093	4.742	4	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	111.7245	2.965	2	111.7245	8.791	2	110.9093	4.742	4	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	111.2720	0.000	1	111.2720	0.000	1	110.9093	4.742	4	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]O)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	103.8140	0.000	1	103.8140	0.000	1	109.8707	8.374	7	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(H){2|H<1>,4|C<3>}	111.3080	1.311	4	111.3080	1.718	4	109.8707	8.374	7	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	110.0245	0.305	2	110.0245	0.093	2	109.8707	8.374	7	110.5700	5.798	14	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C)	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>}	N[6](C[6]C[4,6]C[6a]H)(C[6]C[6a]C[6])(CC[6a]C){1|C<4>,2|H<1>,5|C<3>}	108.1530	0.000	1	108.1530	0.000	1	108.1530	0.000	1	111.2923	2.451	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	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[6a]-3:C[6]-3:	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	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]O){1|N<3>,5|C<3>,5|H<1>}	112.1460	0.867	3	112.1460	0.752	3	112.1460	0.752	3	111.2923	2.451	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(C[6a]C[6a]2){1|F<1>,2|H<1>,7|C<3>}	112.2850	0.000	1	112.2850	0.000	1	111.4850	0.523	3	111.2923	2.451	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6a]-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	111.0850	0.294	2	111.0850	0.087	2	111.4850	0.523	3	111.2923	2.451	7	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH)	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>}	N[6](C[6]C[6,6]C[6a]H)(C[6]C[6]O)(CCHH){1|N<3>,3|C<3>,3|H<1>}	114.5940	0.000	1	114.5940	0.000	1	114.5940	0.000	1	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCCH){1|H<1>,5|C<3>}	112.3900	0.000	1	112.3900	0.000	1	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	111.4230	0.000	1	111.4230	0.000	1	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	113.5900	0.000	1	113.5900	0.000	1	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(CH3){1|H<1>,5|C<3>}	111.8160	0.922	3	111.8160	0.850	3	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>,3|C<3>}	113.0925	0.657	2	113.0925	0.432	2	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	112.0917	0.159	3	112.0917	0.025	3	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	112.5710	0.000	1	112.5043	0.018	3	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	112.4710	0.174	2	112.5043	0.018	3	112.3446	0.527	14	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SCOO){1|H<1>,5|C<3>}	112.2210	0.000	1	112.2210	0.000	1	112.8921	0.809	7	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]O)(SC[6a]OO){1|H<1>,5|C<3>}	113.0210	0.124	2	113.0210	0.015	2	112.8921	0.809	7	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	113.2075	1.688	2	113.2075	2.849	2	112.8921	0.809	7	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]O)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	112.7835	1.133	2	112.7835	1.285	2	112.8921	0.809	7	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]CH){2|O<2>,3|H<1>,6|C<3>}	115.2430	0.000	2	115.2430	0.000	2	113.9440	2.250	4	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|O<2>,3|H<1>,6|C<3>}	112.6450	0.000	2	112.6450	0.000	2	113.9440	2.250	4	112.8246	1.194	26	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6,6]CH)(H){1|H<1>,2|C<4>,4|C<3>}	109.3080	0.000	1	109.3080	0.000	1	109.3080	0.000	1	110.9592	0.982	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.3150	0.318	2	111.3150	0.101	2	111.2940	0.594	8	110.9592	0.982	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.5360	1.048	4	111.5360	1.099	4	111.2940	0.594	8	110.9592	0.982	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.7890	0.122	2	110.7890	0.015	2	111.2940	0.594	8	110.9592	0.982	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:	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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<4>,2|C<4>,3|C<3>,4|H<1>}	109.9320	0.000	1	109.9320	0.000	1	109.9320	0.000	1	110.9592	0.982	10	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	113.4620	0.000	1	113.4620	0.000	1	111.9417	2.197	11	111.9417	2.197	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	111.9260	0.996	2	111.9260	0.991	2	111.9417	2.197	11	111.9417	2.197	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	109.7225	1.189	2	109.7225	1.413	2	111.9417	2.197	11	111.9417	2.197	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	112.3180	0.904	2	112.3180	0.817	2	111.9417	2.197	11	111.9417	2.197	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:2:	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]-4:N-2:	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	N[6](C[6]C[6a]C[6]H)2(NO)	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>}	N[6](C[6]C[6a]C[6]H)2(NO){2|H<1>,7|C<3>}	112.4910	1.304	4	112.4910	1.699	4	111.9417	2.197	11	111.9417	2.197	11	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6]C[6a]H)2(CCO)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	113.2440	2.226	2	113.7155	1.275	6	113.3230	1.456	8	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6]C[6a]H)2(CCO)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CCO){2|H<1>,3|C<4>,4|C<3>}	113.9513	0.501	4	113.7155	1.275	6	113.3230	1.456	8	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CC[6a]O){2|H<1>,3|C<4>,4|C<3>}	112.1455	0.342	2	112.1455	0.117	2	113.3230	1.456	8	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	112.5140	0.000	1	112.0920	0.356	2	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(CCO){2|C<3>,2|C<4>,3|H<1>}	111.6700	0.000	1	112.0920	0.356	2	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	114.2540	0.454	2	114.2540	0.206	2	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CHO){1|N<3>,3|C<3>,3|H<1>}	110.8110	0.000	1	110.8110	0.000	1	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CHO){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.5290	0.000	1	112.5290	0.000	1	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(COO){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	112.1080	0.000	1	112.1080	0.000	1	112.5914	1.666	7	112.9816	1.585	15	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	110.2860	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP2	C[6]	C[6a]	N[6]	4:3:3:3:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|N<3>,2|H<1>,5|C<3>}	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	113.0990	0.000	1	111.6128	3.472	858	111.5802	3.571	934
466	643	856	0:SP3_SP2_SP3	C[3x6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[6]-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)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	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>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	110.7480	0.000	1	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[3x6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	114.1680	0.000	1	113.7725	0.313	2	113.7725	0.313	2	113.7725	0.313	2	113.7725	0.313	2	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[3x6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[3x6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6a](C[3x6]C[6,6,6a]N[6,6]2)(C[6a]C[6a]H)2{2|C<4>,2|H<1>,5|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	113.3770	0.000	1	113.7725	0.313	2	113.7725	0.313	2	113.7725	0.313	2	113.7725	0.313	2	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	112.3800	0.000	1	112.3800	0.000	1	113.1154	3.585	8	113.1154	3.585	8	113.1154	3.585	8	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	113.3390	0.000	1	113.3390	0.000	1	113.1154	3.585	8	113.1154	3.585	8	113.1154	3.585	8	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	113.2007	2.212	6	113.2007	4.893	6	113.1154	3.585	8	113.1154	3.585	8	113.1154	3.585	8	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:2:3:1:	4:3:3:	4:3:3:	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]-3:N-3:	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)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	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>}	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|C<4>,4|C<3>}	112.3780	2.893	3	112.3780	8.369	3	112.3780	8.369	3	112.3780	8.369	3	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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:N[6]-3:C[6]-3:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(N[6]C[6,6]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|C<3>}	112.8025	0.549	2	112.8025	0.302	2	112.8025	0.302	2	112.8025	0.302	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(S[6]C[6,6a]OO)(H){1|C<4>,4|C<3>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:S-3:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[5,6]HH)(SCO){1|C<4>,4|C<3>}	114.3360	0.604	2	114.3360	0.365	2	114.3360	0.365	2	113.3603	3.038	3	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	111.4090	0.000	1	111.4090	0.000	1	111.4090	0.000	1	113.3603	3.038	3	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	110.5867	0.642	3	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.1575	0.422	2	110.1575	0.178	2	110.1575	0.178	2	110.5867	0.642	3	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|N<3>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	107.0490	6.476	2	107.0490	41.934	2	107.0490	41.934	2	107.0490	41.934	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:4:	4:3:3:	4:3:1:	C[6,6a]-3:N[5a,6]-3:N[6]-3:C[6]-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(C[6]C[6]HH){1|S<2>,3|H<1>,6|C<3>}	C[6,6a](C[6,6]N[5a,6]C[6]N[6])(C[6,6a]C[6a]S[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	N[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6,6a]C[6,6a]C[6a])(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){2|C<4>,2|H<1>,4|C<3>}	112.7080	0.000	1	112.3780	0.218	2	112.3780	0.218	2	112.3780	0.218	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	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[6,6a]-3:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	112.0480	0.000	1	112.3780	0.218	2	112.3780	0.218	2	112.3780	0.218	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Br<1>,2|C<4>,3|H<1>,4|C<3>}	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	110.2880	0.000	1	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	109.4470	0.000	1	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	111.6950	0.000	1	111.6950	0.000	1	111.4005	0.173	2	111.4005	0.173	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	111.1060	0.000	1	111.1060	0.000	1	111.4005	0.173	2	111.4005	0.173	2	111.2478	6.864	22	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4: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])	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<3>,2|N<2>,4|C<4>}	112.2302	1.345	6	112.2555	1.425	8	112.2555	1.425	8	112.2555	1.425	8	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4: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])	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	112.3315	0.957	2	112.2555	1.425	8	112.2555	1.425	8	112.2555	1.425	8	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4: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)	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	112.4983	0.476	12	112.4983	0.226	12	112.4792	0.529	24	112.4792	0.529	24	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4: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	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){4|C<3>,4|C<4>}	112.5982	1.266	6	112.5982	1.603	6	112.4792	0.529	24	112.4792	0.529	24	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4: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	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]P[3x6]HH){1|Pd<4>,3|C<4>,4|C<3>}	112.3222	0.533	6	112.3222	0.284	6	112.4792	0.529	24	112.4792	0.529	24	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4: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])	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]N[3x6]C[6a]H)2(C[6,6]C[3x6]HH){1|H<1>,2|C<3>,2|N<2>,4|C<4>}	114.2825	1.163	2	114.2825	1.353	2	114.2825	1.353	2	114.2825	1.353	2	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4: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	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH)	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>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]O[6,6]HH){2|H<1>,3|C<4>,4|C<3>}	110.7490	0.714	2	110.7490	0.510	2	111.8987	1.684	12	111.8987	1.684	12	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4: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	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH)	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>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]C[3x6]HH){2|C<4>,3|H<1>,5|C<3>}	111.0780	1.373	2	111.0780	1.886	2	111.8987	1.684	12	111.8987	1.684	12	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[3x6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4: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	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH)	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>}	N[3x6](C[6,6]C[3x6]C[6a]H)2(C[6,6]N[3x6]HH){2|C<4>,2|H<1>,5|C<3>}	112.3912	1.207	8	112.3912	1.457	8	111.8987	1.684	12	111.8987	1.684	12	112.3673	1.164	46	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	3:3:3:3:	4:3:3:	4:4:4:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-4:	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6,6](C[6,6]C[6a]C[6]N[6])(C[6]C[6]HH)2{1|C<4>,1|N<2>,3|C<3>,5|H<1>}	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	107.9000	0.000	1	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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[3x6]-4:C[6a]-3:	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)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	107.0200	0.000	1	107.0200	0.000	1	112.1548	11.734	4	112.1548	11.734	4	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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[3x6]-4:C[6a]-3:	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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	113.9265	0.165	2	113.8663	0.024	3	112.1548	11.734	4	112.1548	11.734	4	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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[3x6]-4:C[6a]-3:	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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	113.7460	0.000	1	113.8663	0.024	3	112.1548	11.734	4	112.1548	11.734	4	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	3:4:3:	C[6,6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	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	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6a]H)(C[6]C[6,6]O){1|S<2>,2|H<1>,6|C<3>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:3:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C[6a]-3:	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	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2)	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>}	N[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]C[6a]H)(C[6a]C[6a]2){2|C<4>,4|H<1>,6|C<3>}	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	112.2010	0.000	1	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	C[3x6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[3x6]-4:C[6,6]-4:C-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)	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3)	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>}	N[6,6](C[3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]C[6a]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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[3x6]-4:C-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)	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2C)(CH3){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	112.4060	0.000	1	112.4060	0.000	1	112.1195	0.164	2	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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[3x6]-4:C-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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	111.8330	0.000	1	111.8330	0.000	1	112.1195	0.164	2	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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[3x6]-4:S-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	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO)	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>}	N[6,6](C[6,6]C[3x6]C[6a]H)(C[3x6]C[6,6]2H)(SC[6a]OO){1|C<4>,3|C<3>,4|H<1>}	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO)	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>}	N[6,6](C[6,6]C[4,6,6]C[6a]H)(C[6,6]C[4,6,6]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	112.3600	0.000	1	112.3600	0.000	1	112.3600	0.000	1	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C[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	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH)	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>}	N[6,6](C[6,6]C[6,6]C[6a]H)(C[6]C[6]HH)(C[6]N[6]HH){1|O<2>,2|H<1>,4|C<3>}	112.1750	0.000	1	112.1750	0.000	1	112.1750	0.000	1	112.1300	0.171	6	111.7655	4.391	13	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6]-3:C[6a]-3:N[6,6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H)	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6]C[6a]N[6])(C[6a]C[6a]2)(N[6,6]C[6]2)(N[6]C[6]H){2|C<4>,4|C<3>,8|H<1>}	C[6a](C[6,6]N[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|N<2>,2|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]N[6,6]C[6a]C[6])(C[6]C[6]HH)(H){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	110.8150	0.000	1	110.8150	0.000	1	110.8150	0.000	1	110.8150	0.000	1	111.4373	2.779	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6]	4:3:3:2:	4:3:3:	4:3:1:	C[6,6]-4:N[6]-3:C[6a]-3:O[6]-2:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6a]-3:H-1:	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N)	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[6,6]C[6,6]CC)(N[6]C[6,6a]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|N<3>,2|H<1>,6|C<3>}	C[6a](C[6,6]C[6,6]N[6]O[6])(C[6a]C[6a]H)(C[6a]C[6a]N){3|C<3>,3|C<4>,3|H<1>}	N[6](C[6,6]C[6,6]C[6a]O[6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,3|C<4>,5|C<3>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	111.4373	2.779	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6,6]	C[6a]	N[6]	4:3:3:3:	4:3:3:	4:3:4:	C[6,6]-4:C[6a]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:S-4:	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S)	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO)	C[6,6](C[6,6]C[6]N[6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]S){1|N<2>,5|C<3>,5|H<1>}	C[6a](C[6,6]C[6,6]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|S<4>,3|C<3>,4|H<1>}	N[6](C[6,6]C[6,6]C[6a]C[6])(C[6]C[6a]N[6])(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	113.3260	0.000	1	111.4373	2.779	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:4:1:	3:4:3:	4:4:3:	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[6,6]-4:P[6,6]-3:	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)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	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>}	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:4:3:	4:4:4:	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]-4: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)	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2	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>}	N[6](C[6]C[6,6a]O[6]H)(C[6]C[6]HH)2{1|O<2>,3|C<3>,4|H<1>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	111.4030	3.106	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4: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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|O<2>,2|C<3>,2|C<4>,5|H<1>}	109.5230	0.000	1	109.5230	0.000	1	110.5955	2.301	2	110.5955	2.301	2	111.4030	3.106	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4: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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)2{2|O<2>,3|C<3>,5|H<1>}	111.6680	0.000	1	111.6680	0.000	1	110.5955	2.301	2	110.5955	2.301	2	111.4030	3.106	3	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4: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])(C[6a]C[6a]2)(H)	C[6a](C[6]C[6,6a]N[6,6]H)(C[6a]C[6a]H)2	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	110.1300	0.759	2	110.1300	0.577	2	110.1300	0.577	2	109.5804	1.024	7	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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[6,6]-4: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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	109.9500	0.402	2	109.9500	0.161	2	109.3606	1.180	5	109.5804	1.024	7	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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[6,6]-4: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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	107.8710	0.000	1	108.9677	1.701	3	109.3606	1.180	5	109.5804	1.024	7	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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[6,6]-4: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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	110.4100	0.000	1	108.9677	1.701	3	109.3606	1.180	5	109.5804	1.024	7	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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[6,6]-4: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	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	108.6220	0.000	1	108.9677	1.701	3	109.3606	1.180	5	109.5804	1.024	7	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:4:1:	4:3:3:	3:4:4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4: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	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]HH)(C[6]C[6a]C[6]H){2|C<4>,4|C<3>,4|H<1>}	110.1413	0.489	3	110.1413	0.239	3	110.1413	0.239	3	110.1413	0.239	3	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	N[6,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4: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	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<3>,4|C<3>,6|H<1>}	112.1270	0.000	1	112.1270	0.000	1	112.1270	0.000	1	111.2327	0.754	3	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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[6,6]-4: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	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH)	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>}	N[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2H)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,7|H<1>}	110.7855	0.555	2	110.7855	0.308	2	110.7855	0.308	2	111.2327	0.754	3	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	C[6]-4:N[6,6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4: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	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	113.1780	0.000	1	113.1780	0.000	1	113.1780	0.000	1	113.1780	0.000	1	110.3116	1.748	14	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	112.4000	0.000	1	112.4000	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|Cl<1>,2|H<1>,5|C<3>}	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	110.1770	0.000	1	110.1770	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	111.3170	0.000	1	111.3170	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){1|N<2>,3|H<1>,4|C<3>}	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	112.3340	0.000	1	112.3340	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	108.8420	0.000	1	108.8420	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	110.4930	0.000	1	112.4020	7.289	2	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(N[6]C[6]H)(H){3|H<1>,5|C<3>}	C[6a](C[6]N[6]O[6]H)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	114.3110	0.000	1	112.4020	7.289	2	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	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>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	110.6650	0.000	1	110.6650	0.000	1	111.3174	2.814	8	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	113.4840	0.000	1	113.4840	0.000	1	113.4840	0.000	1	111.5581	2.984	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:3:	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]-4:N-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	112.7090	0.000	1	112.7090	0.000	1	112.7090	0.000	1	112.7090	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	114.2850	0.000	1	114.2850	0.000	1	113.7775	0.515	2	114.3080	1.102	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	113.2700	0.000	1	113.2700	0.000	1	113.7775	0.515	2	114.3080	1.102	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:2:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	114.3080	1.102	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,5|C<3>}	113.4660	0.000	1	113.4660	0.000	1	111.6637	2.445	3	111.6637	2.445	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-2:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	110.7625	0.129	2	110.7625	0.017	2	111.6637	2.445	3	111.6637	2.445	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	3:3:4:	4:4:1:	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]-4:H-1:	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]C[6]H)(C[6]C[6a]N[6]H)(H)	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]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	110.1070	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6a]O[6]H)(H){2|C<4>,4|C<3>}	108.9200	0.000	1	108.9200	0.000	1	108.9200	0.000	1	108.9200	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:2:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:C-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	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3)	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>}	N[6](C[6]C[6a]O[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	109.5710	0.280	2	109.5710	0.078	2	109.5710	0.078	2	109.5710	0.078	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:3:	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]-4:C[6a]-3:	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)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.1710	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:4:	C[6a]-3:N[6]-3:O[6]-2:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:C-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	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[5,6]C[5,6a]C[5,6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	114.9110	0.622	3	114.9110	0.387	3	114.9110	0.387	3	113.5833	1.643	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	113.5530	0.000	1	112.5798	0.469	4	112.5798	0.469	4	113.5833	1.643	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	112.1220	0.192	2	112.5798	0.469	4	112.5798	0.469	4	113.5833	1.643	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	112.5220	0.000	1	112.5798	0.469	4	112.5798	0.469	4	113.5833	1.643	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO)	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>}	N[6](C[6]C[6a]S[6]H)(C[6]C[6]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.6140	0.000	1	113.6140	0.000	1	113.6140	0.000	1	113.5833	1.643	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:2:3:	3:3:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-2:C-3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4: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)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(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>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	105.0970	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	N[6a]-2:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|S<4>,3|C<3>}	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	4:3:2:	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]-3:N-2:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]O)(NC){1|H<1>,1|N<2>,3|C<3>}	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	112.1060	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|C<3>,1|N<2>,4|C<4>}	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	110.0840	0.000	1	110.0840	0.000	1	110.0840	0.000	1	108.9015	2.797	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	2:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	107.7190	0.000	1	107.7190	0.000	1	107.7190	0.000	1	108.9015	2.797	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	110.7470	0.918	2	110.7470	0.842	2	110.7470	0.842	2	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,2|H<1>,4|C<3>}	113.6190	0.000	1	113.6190	0.000	1	112.5690	1.356	5	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	112.7590	0.000	1	112.3910	0.271	2	112.5690	1.356	5	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	112.0230	0.000	1	112.3910	0.271	2	112.5690	1.356	5	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	110.8530	0.000	1	110.8530	0.000	1	112.5690	1.356	5	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(H){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	113.5910	0.000	1	113.5910	0.000	1	112.5690	1.356	5	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	110.2745	1.554	2	110.0876	0.607	8	110.0876	0.607	8	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:1:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(H){2|H<1>,5|C<3>}	110.0253	0.590	6	110.0876	0.607	8	110.0876	0.607	8	111.0027	2.115	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	113.1470	0.000	1	113.1470	0.000	1	112.9415	0.084	2	111.9813	2.808	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]H)(CCHH){2|H<1>,5|C<3>}	112.7360	0.000	1	112.7360	0.000	1	112.9415	0.084	2	111.9813	2.808	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	3:4:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH)	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>}	N[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6a]N[6]H)(CN[5a]HH){1|C<4>,1|H<1>,5|C<3>}	110.0610	0.000	1	110.0610	0.000	1	110.0610	0.000	1	111.9813	2.808	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:2:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-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)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	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>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	111.9960	0.000	1	111.2640	1.072	2	111.2640	1.072	2	111.2640	1.072	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:2:4:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:O[6]-2:C-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)	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3)	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>}	N[6](C[6]C[6a]N[6]H)(O[6]C[6])(CH3){1|C<4>,1|H<1>,1|S<4>,3|C<3>}	110.5320	0.000	1	111.2640	1.072	2	111.2640	1.072	2	111.2640	1.072	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.3505	1.163	2	110.3505	1.353	2	110.3505	1.353	2	110.9325	2.402	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	111.3870	1.293	2	111.2235	3.214	4	111.2235	3.214	4	110.9325	2.402	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:H-1:	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)	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	111.0600	2.804	2	111.2235	3.214	4	111.2235	3.214	4	110.9325	2.402	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	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]-3:O-2:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<4>,3|C<3>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	112.6780	4.789	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O[6]-2:	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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	115.8050	0.000	1	115.8050	0.000	1	112.7117	7.177	3	112.6780	4.789	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:2:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:O[6]-2:	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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6])	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|S<4>,2|H<1>,3|C<4>,4|C<3>}	111.1650	0.000	2	111.1650	0.000	2	112.7117	7.177	3	112.6780	4.789	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3: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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	110.4770	0.000	1	110.5267	0.539	7	110.5267	0.539	7	110.5267	0.539	7	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	N[6]-3:N[6]-3:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3: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)	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|H<1>,7|C<3>}	110.5350	0.804	6	110.5267	0.539	7	110.5267	0.539	7	110.5267	0.539	7	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:H-1:	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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]N[6]H)(H){3|C<3>,3|C<4>,3|H<1>}	110.0795	0.344	2	110.0795	0.119	2	110.0795	0.119	2	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	112.3490	0.000	1	112.3490	0.000	1	111.5447	2.309	3	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(H){1|H<1>,2|C<3>,3|C<4>}	111.1425	1.910	2	111.1425	3.648	2	111.5447	2.309	3	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[5,6,6]-4:C[6]-4:H-1:	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)	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6a]N[6]H)(H){2|H<1>,3|C<4>,4|C<3>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	106.8500	0.000	1	106.8500	0.000	1	106.8500	0.000	1	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	N[6]-3:C[6a]-3:N[6]-3:H-1:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H)	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>}	N[6](C[6]C[6a]N[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,4|C<3>}	110.9240	0.042	2	110.9240	0.002	2	110.9240	0.002	2	110.5768	2.929	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]N[6]H)2(CH3)	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>}	N[6](C[6]C[6a]N[6]H)2(CH3){2|H<1>,5|C<3>}	112.3083	0.708	4	112.3083	0.501	4	110.8729	3.152	8	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	108.6490	0.000	1	108.6490	0.000	1	110.8729	3.152	8	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<2>,4|C<3>}	111.0320	0.000	1	111.0320	0.000	1	110.8729	3.152	8	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	109.0345	0.766	2	109.0345	0.586	2	110.8729	3.152	8	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.3620	0.000	1	110.3620	0.000	1	110.0395	0.208	2	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	109.7170	0.000	1	109.7170	0.000	1	110.0395	0.208	2	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	108.9590	0.000	1	108.9590	0.000	1	108.9590	0.000	1	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	109.3840	0.000	1	109.1505	0.109	2	110.0973	1.231	4	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	108.9170	0.000	1	109.1505	0.109	2	110.0973	1.231	4	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]CH)(SO3){1|O<2>,2|C<4>,3|C<3>}	111.0440	0.000	2	111.0440	0.000	2	110.0973	1.231	4	110.4273	2.175	15	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:2:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:N[6]-3:H-1:	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])	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	109.2065	0.433	2	109.2065	0.188	2	109.2065	0.188	2	109.2065	0.188	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	113.0840	4.050	4	113.0840	16.402	4	112.0345	12.494	6	112.0345	12.494	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	109.9355	0.220	2	109.9355	0.048	2	112.0345	12.494	6	112.0345	12.494	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	109.2960	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	108.6780	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:2:2:	4:3:1:	C[6a]-3:N[6]-3:N[6]-3:H-1:	C[6]-4:N[6a]-2:N[6a]-2:	C[6]-4:N[6]-3:H-1:	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	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]N[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|N<2>}	107.5360	1.102	2	107.5360	1.214	2	107.5360	1.214	2	107.5360	1.214	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	3:4:1:	N[5a,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,1|N<2>,5|C<3>}	112.5160	0.000	1	112.5160	0.000	1	112.5160	0.000	1	113.0680	0.609	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	3:4:1:	N[6,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[6,6]C[6a]H)(H){1|H<1>,2|N<2>,4|C<3>}	113.6200	0.000	1	113.6200	0.000	1	113.6200	0.000	1	113.0680	0.609	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	107.9010	0.000	1	107.9010	0.000	1	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	108.8360	0.274	2	108.8180	0.586	8	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	109.4590	0.000	1	108.8180	0.586	8	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	108.5217	0.733	3	108.8180	0.586	8	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	107.8630	0.000	1	108.8180	0.586	8	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	109.9850	0.000	1	108.8180	0.586	8	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	109.7520	0.000	1	109.7520	0.000	1	108.8197	0.646	10	108.8197	0.646	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]H)(H){1|H<1>,1|N<3>,5|C<3>}	109.6620	0.000	1	109.6620	0.000	1	109.6620	0.000	1	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	112.4690	0.000	1	112.4690	0.000	1	112.4690	0.000	1	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	C[6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	113.7460	0.000	1	113.7460	0.000	1	113.7460	0.000	1	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	109.9900	0.000	1	109.9900	0.000	1	110.6256	1.362	5	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	112.5700	0.000	1	111.1640	3.954	2	110.6256	1.362	5	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	109.7580	0.000	1	111.1640	3.954	2	110.6256	1.362	5	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]H)(H){1|H<1>,6|C<3>}	110.4050	0.642	2	110.4050	0.412	2	110.6256	1.362	5	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	111.4250	0.000	1	111.4250	0.000	1	111.4250	0.000	1	111.1589	2.199	9	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:	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	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	109.4270	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	C[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	110.4445	4.539	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	3:4:4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]C[6a]H)(CH3){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	110.4445	4.539	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	110.2870	0.000	1	110.2870	0.000	1	110.9575	0.899	2	110.9575	0.899	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:1:	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]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	111.6280	0.000	1	111.6280	0.000	1	110.9575	0.899	2	110.9575	0.899	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	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[6a]-3:O[6]-2:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6a]C[6a]2)(O[6]C[6]){2|C<4>,2|H<1>,6|C<3>}	115.9660	0.000	1	115.9660	0.000	1	115.9660	0.000	1	115.7920	1.797	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,7|C<3>}	114.3730	0.000	1	115.7050	3.548	2	115.7050	3.548	2	115.7920	1.797	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){4|H<1>,6|C<3>}	117.0370	0.000	1	115.7050	3.548	2	115.7050	3.548	2	115.7920	1.797	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:S-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	113.6050	0.000	1	113.7195	0.026	2	113.7195	0.026	2	113.7195	0.026	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:S-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	113.8340	0.000	1	113.7195	0.026	2	113.7195	0.026	2	113.7195	0.026	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	109.2940	0.000	1	109.2940	0.000	1	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	106.2810	0.000	1	106.2810	0.000	1	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	110.9338	1.505	5	111.0176	1.474	8	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	111.2020	1.072	2	111.0176	1.474	8	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	111.0680	0.000	1	111.0176	1.474	8	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	112.7027	1.497	3	112.7027	2.241	3	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	112.3090	1.240	2	112.4860	0.754	5	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	113.0130	0.000	1	112.4860	0.754	5	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	111.6500	0.000	1	112.4860	0.754	5	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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[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	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	113.1490	0.000	1	112.4860	0.754	5	111.3474	3.563	18	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:3:4:	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]-3:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(SC[6a]OO){1|N<2>,4|C<3>}	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	111.3202	3.379	19	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	108.6270	0.000	1	108.6270	0.000	1	108.5612	3.433	6	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|N<3>,2|H<1>,3|C<3>}	111.1670	0.000	1	111.1670	0.000	1	108.5612	3.433	6	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,5|C<3>}	107.0530	0.000	2	107.0530	0.000	2	108.5612	3.433	6	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(H){1|N<3>,2|H<1>,3|C<3>}	110.4310	0.000	1	110.4310	0.000	1	108.5612	3.433	6	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(H){1|C<4>,1|H<1>,4|C<3>}	107.0360	0.000	1	107.0360	0.000	1	108.5612	3.433	6	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	110.2520	0.000	1	110.2520	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	111.6970	0.000	1	111.6970	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	109.0340	0.000	1	109.0340	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	108.8090	0.809	4	109.8883	3.190	6	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	112.0470	0.058	2	109.8883	3.190	6	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	110.7640	0.000	1	110.7640	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	108.8210	0.000	1	108.8210	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	109.3380	0.000	1	109.2192	8.205	5	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	109.1895	3.307	4	109.2192	8.205	5	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	108.9140	0.000	1	108.9140	0.000	1	109.7005	3.587	17	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,4|C<3>}	108.2490	0.000	1	108.2490	0.000	1	107.3095	1.765	2	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	106.3700	0.000	1	106.3700	0.000	1	107.3095	1.765	2	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|H<1>,1|S<2>,6|C<3>}	110.7650	4.004	3	110.7650	16.034	3	110.7650	16.034	3	109.3996	4.759	28	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:2:	C[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S-4:O[6]-2:	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	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[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>}	N[6](C[6]C[5,6]C[6a]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	109.7630	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:N-3:	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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	109.9390	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	115.6065	0.401	2	115.6065	0.161	2	113.7730	10.166	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	110.1060	0.000	1	110.1060	0.000	1	113.7730	10.166	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[3]OO){1|N<3>,2|H<1>,3|C<3>}	111.1220	0.000	1	111.1220	0.000	1	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SCOO){1|H<1>,1|N<3>,4|C<3>}	109.6530	0.000	1	109.6530	0.000	1	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.9360	0.000	1	111.7975	19.700	2	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	108.6590	0.000	1	111.7975	19.700	2	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){2|H<1>,4|C<3>}	108.8925	0.902	2	108.8925	0.813	2	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.8580	0.000	1	109.8580	0.000	1	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	109.9773	0.985	3	109.9773	0.970	3	110.1945	3.599	10	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	110.2660	0.178	2	110.2660	0.032	2	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	108.3470	1.926	3	109.0010	2.807	5	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	109.9820	0.774	2	109.0010	2.807	5	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	109.5280	0.000	1	109.5280	0.000	1	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	110.3910	0.000	1	110.3910	0.000	1	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	109.9210	0.000	1	109.9210	0.000	1	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	110.0760	0.000	1	110.0760	0.000	1	109.5866	1.490	11	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	108.7120	0.239	2	108.7120	0.057	2	108.7120	0.057	2	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	113.5400	0.000	1	113.5400	0.000	1	112.6852	1.303	5	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6]-4:C-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	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	112.4715	1.197	4	112.4715	1.433	4	112.6852	1.303	5	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	109.2040	0.000	1	109.2040	0.000	1	110.2860	0.880	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	110.8270	0.058	2	110.8270	0.003	2	110.2860	0.880	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	108.2040	0.000	1	108.2040	0.000	1	110.1587	3.546	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[6a]HH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.9610	0.000	1	111.9610	0.000	1	110.1587	3.546	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	110.3110	0.000	1	110.3110	0.000	1	110.1587	3.546	3	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	108.5670	0.000	1	108.5670	0.000	1	110.9589	4.677	8	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|O<2>,2|H<1>,5|C<3>}	110.9820	0.000	1	110.9820	0.000	1	110.9589	4.677	8	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO){2|H<1>,6|C<3>}	109.9825	1.078	4	109.9825	1.163	4	110.9589	4.677	8	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	114.2230	0.000	1	114.2230	0.000	1	110.9589	4.677	8	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HO)(SC[6a]OO){1|H<1>,1|O<1>,3|C<3>}	113.9690	0.000	1	113.9690	0.000	1	110.9589	4.677	8	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	C[6a]-3:N[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	111.2550	0.000	1	111.2550	0.000	1	111.2550	0.000	1	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH)	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>}	N[6](C[6]N[5,6]C[6a]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.9070	0.000	1	112.9070	0.000	1	112.9070	0.000	1	110.6965	4.211	47	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:1:	4:3:3:	4:5:1:	C[6,6a]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:P[6,6]-5:H-1:	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	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:2:	4:3:3:	4:3:2:	C[6]-3:C[6a]-3:N[6]-3:O-2:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:O-2:	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	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC)	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>}	N[6](C[6]C[6a]C[6]O)(C[6]C[6,6a]O)(OC){1|O<1>,4|C<3>}	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.3690	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:2:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){2|C<4>,3|C<3>,4|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	110.6825	2.225	2	110.6825	4.952	2	109.6485	7.983	10	109.6485	7.983	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:2:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	109.7175	3.048	4	109.3900	9.175	8	109.6485	7.983	10	109.6485	7.983	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:2:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])2(N[6]C[6]H)2{1|C<4>,4|C<3>,6|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)(N[6a]C[6a]){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|H<1>,2|C<3>,2|N<2>,3|C<4>}	109.0625	3.439	4	109.3900	9.175	8	109.6485	7.983	10	109.6485	7.983	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6a]N[6])(H){1|O<2>,2|H<1>,6|C<3>}	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	113.9510	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){1|S<2>,4|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	110.6790	4.479	2	109.7558	13.690	4	109.7558	13.690	4	109.7558	13.690	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-4:	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO)	C[6](N[6]C[6,6a]S)(C[6a]C[6a]2)2(C[6]C[6]H){4|H<1>,7|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|S<4>,3|H<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2C[6])(SC[6a]OO){2|H<1>,7|C<3>}	108.8325	4.195	2	109.7558	13.690	4	109.7558	13.690	4	109.7558	13.690	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[5a]-3:N[6]-3:C[6a]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H){1|O<1>,3|H<1>,6|C<3>}	C[6a](C[6]C[5a]N[6]2)(C[6a]C[6a]H)2{1|O<2>,4|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6a]N[6])(C[6]C[6,6a]O)(H){1|H<1>,1|O<2>,5|C<3>}	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.1890	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:H-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	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	109.2400	0.000	1	109.2400	0.000	1	109.2400	0.000	1	108.1575	1.503	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-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	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	106.6540	0.000	1	106.6540	0.000	1	106.6540	0.000	1	108.1575	1.503	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:N[6]-3:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(C[6a]C[6a]2)(N[6]C[6]H)2{1|C<4>,4|C<3>,7|H<1>}	C[6a](C[6]C[6a]N[6]2)(C[6a]C[6a]H)2{1|N<2>,2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]2N[6])(C[6]C[6]HH)(H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	108.3680	0.994	2	108.3680	0.988	2	108.3680	0.988	2	108.1575	1.503	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	3:3:4:	3:4:1:	N[6]-3:C[6a]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3)	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(N[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(C[6]N[6]2C){3|C<3>,4|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]N[6]C)(H){2|H<1>,5|C<3>}	111.0855	0.370	2	111.0855	0.137	2	111.0855	0.137	2	111.0855	0.137	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	3:3:4:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C)	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]H)2(CF3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(C[6]N[6]2C){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	110.7285	1.098	2	110.7285	1.206	2	110.7285	1.206	2	110.7285	1.206	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	3:4:2:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	111.3130	2.425	2	111.1668	3.010	10	111.1668	3.010	10	111.1668	3.010	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	3:4:2:	4:4:1:	C[6a]-3:N[6]-3:N[6]-3:C-4:	C[6a]-3:C[6]-4:N[6a]-2:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3)	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a])	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]H)2(CH3){1|C<4>,2|C<3>,5|H<1>}	C[6a](C[6a]C[6a]H)(C[6]N[6]2C)(N[6a]C[6a]){1|C<3>,3|C<4>,3|H<1>}	N[6](C[6]C[6a]N[6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	111.1303	1.738	8	111.1668	3.010	10	111.1668	3.010	10	111.1668	3.010	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:2:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:N[6a]-2:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a])	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)(N[6a]C[6a]){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	107.3930	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CH3){3|H<1>,6|C<3>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,3|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[6a]C)(H){1|H<1>,1|N<3>,5|C<3>}	111.5300	0.000	1	111.5300	0.000	1	111.5300	0.000	1	109.9153	8.189	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	N[5a,6]-3:N[6]-3:C[6a]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3)	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(CF3){2|H<1>,7|C<3>}	C[6a](C[6]N[5a,6]N[6]C)(C[6a]C[6a]H)2{3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]N[5a,6]C[6a]C)(H){1|H<1>,6|C<3>}	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	109.9153	8.189	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(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]C)(H){1|C<2>,1|H<1>,5|C<3>}	108.5760	0.000	1	110.7630	9.566	2	110.7630	9.566	2	109.9153	8.189	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)(CH3){2|H<1>,5|C<3>}	C[6a](C[6]C[6]N[6]C)(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]C)(H){2|H<1>,5|C<3>}	112.9500	0.000	1	110.7630	9.566	2	110.7630	9.566	2	109.9153	8.189	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	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)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	106.9360	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	105.6800	0.000	1	105.6005	0.013	2	105.1365	0.743	4	105.1365	0.743	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){2|C<4>,4|C<3>,4|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]CH)(OH){1|N<3>,2|H<1>,3|C<3>}	105.5210	0.000	1	105.6005	0.013	2	105.1365	0.743	4	105.1365	0.743	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:4:2:	C[5a,6]-3:C[6a]-3:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3)	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C[6a](C[6]C[5a,6]N[6]C)(C[6a]C[6a]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C[6a]C)(C[6]C[6]HH)(OC){1|N<3>,2|H<1>,3|C<3>}	104.6725	1.165	2	104.6725	1.356	2	105.1365	0.743	4	105.1365	0.743	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|H<1>,2|C<4>,5|C<3>}	108.2230	0.000	1	108.2230	0.000	1	108.9605	1.088	2	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5a,6]-3:C[6]-4:H-1:	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	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	109.6980	0.000	1	109.6980	0.000	1	108.9605	1.088	2	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){2|H<1>,6|C<3>}	110.4940	0.000	1	110.4940	0.000	1	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	109.6720	0.546	2	109.6720	0.298	2	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	112.0330	0.000	1	112.0330	0.000	1	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	110.8960	0.000	1	110.8960	0.000	1	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	109.3570	0.000	1	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	112.0703	0.481	3	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){3|H<1>,5|C<3>}	109.6447	0.328	3	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	110.5840	0.000	1	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	108.6870	0.000	1	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	110.6140	0.933	2	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	110.3207	0.322	3	110.4259	1.230	14	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	112.3110	0.000	1	112.3110	0.000	1	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|O<2>,2|H<1>,5|C<3>}	115.4960	0.004	2	115.4960	0.000	2	111.0015	3.234	22	110.8314	3.332	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	110.0690	0.000	1	110.0690	0.000	1	110.8860	1.335	2	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C-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	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6]H)(CC[6a]HH){1|C<4>,2|H<1>,5|C<3>}	111.7030	0.000	1	111.7030	0.000	1	110.8860	1.335	2	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|H<1>,2|C<2>,4|C<3>}	111.7720	0.000	1	111.7720	0.000	1	111.9415	0.057	2	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(SC[6a]OO){1|C<4>,1|F<1>,1|H<1>,5|C<3>}	112.1110	0.000	1	112.1110	0.000	1	111.9415	0.057	2	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3: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)(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)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	117.8720	0.000	1	118.8493	0.718	3	117.6082	6.640	4	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3: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)(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)	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,4|H<1>}	119.3380	0.048	2	118.8493	0.718	3	117.6082	6.640	4	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	3:4:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3: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)(C[6]N[6]HH)(H)	C[6a](C[6]C[6]N[6]H)(C[6a]C[6a]H)2	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH)	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6]H)(C[6]C[6]HH){1|N<4>,4|H<1>,5|C<3>}	113.8850	0.000	1	113.8850	0.000	1	117.6082	6.640	4	114.5110	14.167	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,3|H<1>,7|C<3>}	117.8690	0.000	1	117.8690	0.000	1	117.3920	0.325	3	117.3920	0.325	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:2:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6a]-3:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	117.1535	0.556	2	117.1535	0.310	2	117.3920	0.325	3	117.3920	0.325	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:3:4:	N[6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[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	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	114.5900	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:C[6]-4:H-1:	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	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6a]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	111.4533	2.980	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:1:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6,6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6,6]C[6]3)(H){2|C<4>,4|C<3>,7|H<1>}	110.9600	2.121	2	110.9600	4.500	2	110.9600	4.500	2	111.4533	2.980	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:2:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:O-2:	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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(OH){2|C<3>,3|C<4>,5|H<1>}	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:1:	4:3:3:	4:4:4:	C[6a]-3:N[6]-3:C[6]-4:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CC[6a]HH){1|H<1>,4|C<4>,5|C<3>}	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	116.8880	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:C-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]C)(H){1|C<4>,3|H<1>,4|C<3>}	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	111.0190	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){1|C<4>,5|C<3>,5|H<1>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	109.1655	1.076	2	109.9033	3.772	6	109.9033	3.772	6	109.9033	3.772	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:3:	4:3:3:	4:4:1:	C[6a]-3:C[6a]-3:C[6]-4:N[6]-3:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:H-1:	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H)	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H)	C[6](C[6a]C[6a]2)2(C[6]O[6]HH)(N[6]C[6]H){5|H<1>,6|C<3>}	C[6a](C[6]C[6a]C[6]N[6])(C[6a]C[6a]H)2{1|C<4>,1|O<2>,3|C<3>,5|H<1>}	N[6](C[6]C[6a]2C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	110.2722	2.314	4	109.9033	3.772	6	109.9033	3.772	6	109.9033	3.772	6	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:3:4:4:	4:3:3:	3:4:1:	N[6]-3:C[6a]-3:C[6]-4:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	N[5a,6]-3:C[6]-4:H-1:	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H)	C[6](N[6]N[5a,6]H)(C[6a]C[6a]2)(C[6]S[6]CH)(CH3){1|N<2>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|N<3>,1|S<2>,2|C<3>,4|H<1>}	N[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:2:	3:4:1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6a]-3:C[6]-4:N[6a]-2:	C[6,6a]-3:C[6]-4:H-1:	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])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	113.1760	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.1460	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:1:	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]-4:H-1:	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])	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,2|N<2>,4|C<3>}	110.0027	0.577	4	110.0027	0.333	4	110.0027	0.333	4	110.0027	0.333	4	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	108.7870	0.000	1	108.7870	0.000	1	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	110.2430	0.092	2	111.3134	0.904	8	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	110.4270	0.000	1	111.3134	0.904	8	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	112.2927	0.417	3	111.3134	0.904	8	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	111.2830	0.000	1	111.3134	0.904	8	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	111.4330	0.000	1	111.3134	0.904	8	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|H<1>,2|N<2>,5|C<3>}	110.3690	0.000	1	110.3690	0.000	1	110.9663	1.377	10	110.9663	1.377	10	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:2:3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:O[6]-2:C-3:	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	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO)	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>}	N[6](C[6]C[6a]C[6]H)(O[6]C[6])(COO){1|C<4>,3|C<3>,3|H<1>}	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	114.0360	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:H-1:	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	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H)	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>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>,4|H<1>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	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>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	110.7890	0.000	1	111.0690	0.965	3	111.0690	0.965	3	111.0690	0.965	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:3:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-3:	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	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO)	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>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6a]C[6])(COO){1|C<4>,4|C<3>,4|H<1>}	111.2090	1.346	2	111.0690	0.965	3	111.0690	0.965	3	111.0690	0.965	3	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	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]-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(C[6]C[6]HH){1|C<4>,1|N<4>,4|C<3>,5|H<1>}	119.3850	0.000	1	119.3850	0.000	1	119.3850	0.000	1	114.1540	54.727	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:3:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:N[6]-3:C-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	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(N[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.9230	0.000	1	108.9230	0.000	1	108.9230	0.000	1	114.1540	54.727	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	109.3580	0.000	1	109.4068	0.045	4	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	109.4230	0.257	3	109.4068	0.045	4	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	108.3625	0.134	2	109.2717	1.108	4	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.1810	0.004	2	109.2717	1.108	4	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	110.3950	0.000	1	110.9360	0.260	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	111.4070	0.000	1	110.9360	0.260	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,4|C<3>}	111.0060	0.000	1	110.9360	0.260	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]N[6]H)(H){1|H<1>,6|C<3>}	114.6840	0.000	1	114.6840	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	108.9843	1.121	3	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	110.0157	0.460	3	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	108.3895	0.238	2	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	109.9820	0.000	1	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	109.6874	1.194	8	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.1400	0.802	4	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,3|H<1>,4|C<3>}	108.1070	0.000	1	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	109.4310	0.000	1	109.7112	1.416	23	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){3|C<3>,4|H<1>}	108.9095	0.409	2	108.9095	0.168	2	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	110.4560	0.000	1	110.4560	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,4|H<1>}	111.3370	0.000	1	111.3370	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,2|H<1>}	109.9730	0.000	1	109.9730	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	111.9737	1.550	3	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.5150	0.000	1	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	110.8765	0.142	2	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	111.7710	0.000	1	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	111.7964	0.542	8	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	109.7263	0.946	3	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,2|H<1>,5|C<3>}	109.7110	1.285	3	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	111.4088	0.554	5	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,4|C<3>,4|H<1>}	109.7605	0.203	4	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){2|C<4>,3|H<1>,4|C<3>}	109.9430	0.000	1	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|C<4>,3|H<1>,5|C<3>}	111.7490	0.000	1	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){4|H<1>,5|C<3>}	111.8780	0.673	2	111.0052	1.291	34	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.0220	0.000	1	111.0220	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|H<1>,1|S<2>,6|C<3>}	108.1860	0.365	3	108.1860	0.133	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.0060	0.000	1	113.0060	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,4|H<1>}	111.9910	0.000	1	111.9910	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.8850	0.000	1	110.8850	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	110.8870	0.526	2	111.0803	0.251	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.4670	0.000	1	111.0803	0.251	3	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	109.5540	0.000	1	110.1045	0.606	2	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	110.6550	0.000	1	110.1045	0.606	2	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|S<4>,3|C<3>,3|H<1>}	112.9660	0.000	1	112.9660	0.000	1	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|S<4>,2|H<1>,6|C<3>}	107.6200	0.530	2	107.6200	0.281	2	110.3645	2.100	89	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]O[6]OO)(H){1|C<4>,2|C<3>,2|H<1>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	112.7880	0.000	1	112.7880	0.000	1	112.7880	0.000	1	110.3832	2.124	91	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C-4:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(CC[6a]HH)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	112.4155	6.167	2	112.4155	38.028	2	112.4155	38.028	2	111.9499	6.070	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:O-2:	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	N[6](C[6]C[6a]C[6]H)2(OH)	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>}	N[6](C[6]C[6a]C[6]H)2(OH){1|N<3>,4|C<3>,4|H<1>}	110.9510	0.117	2	110.9510	0.014	2	111.5350	0.465	5	111.9499	6.070	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:O-2:	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	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	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>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	111.7930	0.778	2	111.9243	0.354	3	111.5350	0.465	5	111.9499	6.070	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	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]-4:O-2:	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	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH)	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>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6a]C[6]H)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	112.1870	0.000	1	111.9243	0.354	3	111.5350	0.465	5	111.9499	6.070	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:2:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S-4:O[6]-2:	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	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[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>}	N[6](C[6]C[6a]C[6]H)(SC[6a]OO)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	113.0930	0.000	1	113.0930	0.000	1	113.0930	0.000	1	111.9499	6.070	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){2|C<4>,2|H<1>,5|C<3>}	112.8475	1.271	2	112.8475	1.615	2	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCC)	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>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	112.7910	0.051	2	112.7910	0.003	2	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	113.8580	0.000	1	113.8580	0.000	1	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>,3|C<4>}	111.6710	0.000	1	111.6710	0.000	1	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	113.0520	0.000	1	113.0520	0.000	1	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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	N[6](C[6]C[6a]C[6]H)2(CCO)	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>}	N[6](C[6]C[6a]C[6]H)2(CCO){1|C<4>,3|H<1>,5|C<3>}	113.1560	0.000	1	113.1560	0.000	1	112.8768	0.594	8	112.8768	0.594	8	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){3|C<4>,4|C<3>}	109.3780	0.000	1	109.3780	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	111.8130	0.000	1	111.8130	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]O[6]H)(CC[6a]HH){1|H<1>,2|C<4>,4|C<3>}	111.1540	0.359	3	111.1540	0.129	3	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	109.9030	0.000	1	111.3444	1.206	5	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|H<1>,3|C<4>,4|C<3>}	111.7047	0.862	4	111.3444	1.206	5	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	110.2025	0.887	11	110.1731	0.961	14	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){2|C<4>,2|H<1>,5|C<3>}	110.0115	2.138	2	110.1731	0.961	14	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	110.1730	0.000	1	110.1731	0.961	14	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,2|F<1>,2|H<1>}	112.3630	0.000	1	112.3630	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	109.7470	0.000	1	109.7470	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)2(CCHH){1|C<4>,4|C<3>,4|H<1>}	110.8555	0.306	4	110.8555	0.094	4	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)2(CC[6a]HH){2|C<4>,3|H<1>,4|C<3>}	110.2510	0.000	1	110.2510	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	111.8679	0.425	11	111.8238	0.188	12	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)2(CH3)	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>}	N[6](C[6]C[6a]C[6]H)2(CH3){1|C<4>,3|H<1>,5|C<3>}	111.3380	0.000	1	111.8238	0.188	12	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.6503	1.088	3	111.6503	1.183	3	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	112.2928	1.073	5	112.2928	1.152	5	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.7225	0.721	2	110.7225	0.519	2	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	112.3430	0.154	2	112.3430	0.024	2	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(CC[5a]CH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.8000	0.000	1	111.8000	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCCH){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	111.8270	0.000	1	111.8270	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]2H){1|O<2>,2|C<3>,4|H<1>}	116.8145	0.108	2	116.8145	0.012	2	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|O<2>,3|H<1>}	113.8900	0.000	1	113.8900	0.000	1	111.4193	2.260	60	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4: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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	113.0130	0.000	1	113.0130	0.000	1	113.0130	0.000	1	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	115.4040	0.000	1	115.4040	0.000	1	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	116.4210	0.000	1	116.4210	0.000	1	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]2H)(SC[6a]OO){2|C<4>,3|H<1>,4|C<3>}	111.6290	3.458	2	111.6290	11.956	2	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){2|H<1>,4|C<3>}	110.4840	0.000	1	109.5808	0.619	5	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	109.6080	0.000	1	109.5808	0.619	5	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	110.2110	0.000	1	109.5808	0.619	5	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]CH)(SC[6a]OO){3|C<3>,3|H<1>}	108.8005	0.216	2	109.5808	0.619	5	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	115.0170	0.567	2	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,3|C<3>,3|H<1>}	108.4100	0.000	1	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	114.9210	0.000	1	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>,3|C<4>}	110.6290	0.000	1	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	106.4470	0.000	1	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	109.1210	0.136	2	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	111.4620	4.312	2	111.1607	11.265	10	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)2(SC[6a]OO){2|H<1>,6|C<3>}	109.9290	2.298	4	109.9290	5.281	4	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|N<3>,2|C<3>,4|H<1>}	108.3110	0.000	1	108.3110	0.000	1	110.9425	8.839	24	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:C-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	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	110.9850	0.000	1	109.3147	2.386	3	109.3147	2.386	3	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:1:	4:3:3:	4:4:4:	C[6a]-3:C[6]-4:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:C-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	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6]OO)(CH3){2|C<3>,2|C<4>,2|H<1>}	108.4795	0.766	2	109.3147	2.386	3	109.3147	2.386	3	111.2356	4.135	88	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:4:	4:3:3:	4:4:1:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4: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)(N[6]C[6]H)(CF3)	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2	N[6](C[6]C[6a]C[6]C)2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]FF)(N[6]C[6]H)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|F<1>,3|H<1>}	N[6](C[6]C[6a]C[6]C)2(H){1|C<4>,4|C<3>,4|F<1>}	106.8620	0.170	2	106.8620	0.029	2	106.8620	0.029	2	106.8620	0.029	2	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	3:4:3:4:	4:3:3:	4:4:3:	C[6a]-3:C[6]-4:N[6]-3:C-4:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3)	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]C[6]HH)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>,6|H<1>}	C[6a](C[6]C[6]N[6]C)(C[6a]C[6a]H)2{2|C<3>,2|C<4>,4|H<1>}	N[6](C[6]C[6a]C[6]C)(C[6]C[6]HH)(COO){1|C<4>,2|C<3>,4|H<1>}	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	110.6980	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	C[6,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:N[6a]-2:	C[5,6]-4:C[6]-4:C-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])	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3)	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>}	N[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6,6]C[6a]H)(CH3){1|N<2>,1|N<3>,3|C<4>,4|C<3>}	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	111.5260	0.774	2	111.5260	0.598	2	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	113.1300	1.117	2	113.1300	1.248	2	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CCHH)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CCHH){2|C<4>,2|N<2>,5|C<3>}	112.5905	0.011	2	112.5905	0.000	2	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	110.0935	0.074	2	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	111.1445	0.009	2	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	109.3390	0.000	1	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	109.8800	0.624	4	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	110.4785	0.227	2	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	107.6530	0.629	2	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|N<2>,3|C<4>,4|C<3>}	110.0495	0.364	2	109.8465	1.144	15	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,2|N<2>,5|C<3>}	110.9355	1.087	2	110.9355	1.181	2	110.6113	2.283	23	110.6140	2.184	24	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.8690	0.000	1	109.8690	0.000	1	109.8690	0.000	1	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	109.6690	0.000	1	109.6690	0.000	1	110.8202	0.929	10	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	111.3370	0.000	1	110.9481	0.861	9	110.8202	0.929	10	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	111.9120	0.000	1	110.9481	0.861	9	110.8202	0.929	10	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.7493	1.053	6	110.9481	0.861	9	110.8202	0.929	10	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.7880	0.000	1	110.9481	0.861	9	110.8202	0.929	10	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|N<3>,2|H<1>,5|C<3>}	109.6460	0.000	1	109.6460	0.000	1	110.2213	0.507	7	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	111.1550	0.000	1	111.1550	0.000	1	110.2213	0.507	7	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	109.9110	0.000	1	110.1496	0.454	5	110.2213	0.507	7	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6a]H)(H){2|C<4>,2|H<1>,4|C<3>}	110.2092	0.762	4	110.1496	0.454	5	110.2213	0.507	7	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|C<4>,2|H<1>,5|C<3>}	109.5720	0.000	1	109.5720	0.000	1	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|H<1>,1|N<3>,6|C<3>}	113.7920	0.000	1	113.7920	0.000	1	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	111.7920	0.000	1	110.6479	0.738	9	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	110.5950	0.873	6	110.6479	0.738	9	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	110.2345	0.651	2	110.6479	0.738	9	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:1:	C[6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(H){1|N<3>,2|H<1>,5|C<3>}	109.0215	0.556	2	109.0215	0.310	2	110.5568	1.870	13	110.5438	1.193	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	3:4:4:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:S-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	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5,6]C[6a]H)(SC[6a]OO){1|C<4>,1|H<1>,6|C<3>}	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	111.0940	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:3:4:	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]-3:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CH3){1|Mo<7>,1|C<4>,2|C<3>,2|H<1>}	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	112.0010	0.000	1	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[3x6]C[6a]H)2(H)	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>}	N[6](C[6]C[3x6]C[6a]H)2(H){2|H<1>,3|C<4>,4|C<3>}	111.3635	0.315	2	111.3635	0.099	2	111.3635	0.099	2	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.4515	0.329	2	109.4515	0.108	2	109.4515	0.108	2	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	109.3090	0.000	1	109.3090	0.000	1	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	108.4970	0.000	1	108.4970	0.000	1	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	110.2970	0.000	1	109.8840	0.352	5	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){4|C<4>,5|C<3>}	109.7807	0.631	4	109.8840	0.352	5	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	109.5940	0.686	4	109.5940	0.471	4	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.0760	0.516	2	110.0760	0.266	2	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	111.3240	0.000	1	110.6337	0.426	3	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.2885	0.370	2	110.6337	0.426	3	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.9980	0.953	4	110.5479	0.669	9	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	110.8860	0.000	1	110.5479	0.669	9	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.0132	0.433	4	110.5479	0.669	9	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.6778	1.080	4	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.3130	1.520	8	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	110.6485	0.310	2	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	113.9150	0.000	1	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.3850	0.075	2	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.2100	0.000	1	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.3050	0.045	2	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){1|H<1>,3|C<4>,5|C<3>}	111.9370	0.000	1	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	112.0701	0.540	10	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6]C[6a]H)2(H)	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>}	N[6](C[6]C[6,6]C[6a]H)2(H){2|C<4>,2|H<1>,5|C<3>}	111.7090	0.000	1	111.5426	1.170	32	110.9114	1.460	57	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:H-1:	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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(H){2|C<3>,2|C<4>,6|H<1>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6]CH)(H){1|C<2>,1|H<1>,1|O<2>,3|C<3>}	110.2250	0.000	1	110.2250	0.000	1	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	110.6090	0.624	2	110.6090	0.389	2	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	111.5950	0.000	1	111.5950	0.000	1	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){1|Cl<1>,1|C<4>,2|H<1>,5|C<3>}	110.1693	0.498	3	110.1693	0.248	3	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)2(H)	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>}	N[6](C[6]C[6a]C[6]H)2(H){3|H<1>,6|C<3>}	109.8490	0.809	2	109.8490	0.654	2	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(H){1|N<3>,3|C<3>,3|H<1>}	112.3700	0.000	1	112.3700	0.000	1	110.5614	0.830	10	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]N[6,6]OO)(H){2|C<3>,2|C<4>,2|H<1>}	110.1260	0.000	1	110.1260	0.000	1	110.4317	2.443	3	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){2|H<1>,4|C<3>}	109.0440	0.000	1	109.0440	0.000	1	110.4317	2.443	3	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6]-4:S[6]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H)	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>}	N[6](C[6]C[6a]C[6]H)(S[6]C[6,6a]OO)(H){1|H<1>,1|O<1>,4|C<3>}	112.1250	0.000	1	112.1250	0.000	1	110.4317	2.443	3	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:1:	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]-4:H-1:	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	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6a]P[6]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	112.6850	0.000	1	112.6850	0.000	1	112.6850	0.000	1	110.8247	1.406	76	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	C[5,6]-4:N[6]-3:C[6a]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(C[6a]C[6a]2){2|C<4>,3|H<1>,7|C<3>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	112.5976	2.518	5	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6]C[6a]H)2(CCC)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CCC){2|C<4>,2|H<1>,5|C<3>}	113.7555	0.824	2	113.7555	0.679	2	113.7555	0.679	2	112.5976	2.518	5	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6a]C[6]H)2(CCC)	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>}	N[6](C[6]C[6a]C[6]H)2(CCC){2|H<1>,7|C<3>}	112.7090	0.494	2	112.7090	0.244	2	112.7090	0.244	2	112.5976	2.518	5	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[5,6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6]O[6]H)(C[6]C[5,6]C[6a]H)(CC[6a]HH){1|H<1>,2|C<4>,5|C<3>}	111.5210	0.279	2	111.5210	0.078	2	111.5210	0.078	2	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[5,6]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|C<4>,7|C<3>}	109.3063	0.885	6	109.3063	0.783	6	110.3350	2.230	10	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	111.6370	0.228	2	111.6370	0.052	2	110.3350	2.230	10	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6,6]C[6a]H)2(CH3)	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>}	N[6](C[6]C[6,6]C[6a]H)2(CH3){2|H<1>,3|C<4>,4|C<3>}	112.1190	0.018	2	112.1190	0.000	2	110.3350	2.230	10	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	115.5580	0.000	1	115.5580	0.000	1	112.1098	5.423	4	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CCHH){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	111.2195	0.107	2	111.2195	0.011	2	112.1098	5.423	4	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	C[6]-4:C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6a]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	110.4420	0.000	1	110.4420	0.000	1	112.1098	5.423	4	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CCHH){1|N<3>,3|C<3>,3|H<1>}	110.3190	0.000	1	110.3190	0.000	1	111.4696	0.938	5	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]CH){1|N<3>,3|C<3>,3|H<1>}	112.4090	0.038	2	112.4090	0.001	2	111.4696	0.938	5	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(CC[6a]HH){1|N<3>,3|C<3>,3|H<1>}	111.1055	0.629	2	111.1055	0.395	2	111.4696	0.938	5	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	115.4810	0.000	1	115.4810	0.000	1	112.3207	3.147	9	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	109.8445	1.042	2	109.8445	1.085	2	112.3207	3.147	9	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6]HH)(SC[6a]OO){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	112.3670	0.000	1	112.3670	0.000	1	112.3207	3.147	9	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5,6]HH)(SC[6a]OO){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	112.5835	0.479	2	112.5835	0.229	2	112.3207	3.147	9	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	0:SP3_SP2_SP3	C[6]	C[6a]	N[6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:S-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	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[5a,6]C[6a]H)(C[6]C[6a]C[6]H)(SC[6a]OO){1|N<3>,2|H<1>,5|C<3>}	112.7273	0.697	3	112.7273	0.486	3	112.3207	3.147	9	111.6164	3.892	31	110.8825	4.404	720	111.0118	4.375	833
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:1:	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[5,6,6]-3:C[3x6]-4:H-1:	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)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H)	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>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|S<2>,5|C<3>}	105.7525	0.705	2	105.7525	0.497	2	105.7525	0.497	2	105.9232	0.617	6	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:1:	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[5,6,6]-3:C[3x6]-4:O-1:	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)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O)	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>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(O){1|H<1>,1|S<2>,5|C<3>}	106.0085	0.913	4	106.0085	0.833	4	106.0085	0.833	4	105.9232	0.617	6	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:2:	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[5,6,6]-3:C[3x6]-4:O-2:	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)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	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>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	105.4790	0.182	4	105.4790	0.033	4	105.4790	0.033	4	105.4790	0.033	4	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[5,6,6]-3:C[3x6]-4:B-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)	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3)	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>}	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(BC[6a]3){1|H<1>,1|S<2>,5|C<3>}	107.2960	0.102	2	107.2960	0.010	2	107.2960	0.010	2	107.2960	0.010	2	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:3:	3:4:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	107.1560	0.000	1	107.1560	0.000	1	106.7060	0.405	2	106.7060	0.405	2	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:3:	3:4:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	106.2560	0.000	1	106.2560	0.000	1	106.7060	0.405	2	106.7060	0.405	2	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6,6a]	N[6,6]	3:4:3:1:	3:4:3:	4:4:3:	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]-4:C-3:	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)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO)	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>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]C[6]C)(COO){1|C<4>,3|C<3>,5|H<1>}	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	107.5060	0.000	1	106.1977	0.768	15	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[3x6]	C[6,6a]	N[6,6]	3:4:3:3:	4:3:3:	4:4:3:	C[6,6a]-3:C[6,6]-4:N[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6a]-3:C[6a]-3:	C[3x6]-4:C[6]-4:C[6]-3:	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[3x6]C[6,6]N[6,6]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	N[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	106.3230	0.000	1	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H)	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>}	N[6](C[6,6]C[6,6,6a]N[6]H)(C[6]N[6]N)(H){2|H<1>,3|C<3>}	109.4795	1.115	2	109.4795	1.243	2	109.4795	1.243	2	109.4795	1.243	2	111.0722	2.728	6	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:3:3:3:	3:3:4:	4:4:1:	C[6,6,6a]-3:C[6a]-3:C[6]-3:N[6]-3:	C[6,6a,6a]-3:C[6,6,6a]-3:C[6,6]-4:	C[6,6]-4:C[6,6]-4:H-1:	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[6,6]H)	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[3x6])(C[6,6]C[6a]C[6]N[6])	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H)	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[6,6]H){1|C<4>,1|H<1>,1|O<2>,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[3x6])(C[6,6]C[6a]C[6]N[6]){1|C<4>,1|H<1>,1|N<2>,1|O<1>,8|C<3>}	N[6](C[6,6]C[6,6,6a]C[6a]C[6])(C[6,6]C[3x6]C[6a]O[6])(H){1|C<4>,1|N<2>,1|O<1>,8|C<3>}	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	110.0950	0.000	1	111.0722	2.728	6	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:4:3:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	112.2320	0.000	1	112.2320	0.000	1	112.4597	0.297	3	112.4597	0.297	3	111.0722	2.728	6	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:4:3:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CCO){3|C<3>,4|H<1>}	112.0650	0.000	1	112.0650	0.000	1	112.4597	0.297	3	112.4597	0.297	3	111.0722	2.728	6	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6,6a]	N[6]	3:4:3:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CHO){3|C<3>,4|H<1>}	113.0820	0.000	1	113.0820	0.000	1	112.4597	0.297	3	112.4597	0.297	3	111.0722	2.728	6	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	3:4:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	113.7540	0.000	1	113.7540	0.000	1	113.7540	0.000	1	113.7540	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(O[6]C[6])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]O[6]H)(C[6]C[6a]C[6]){1|C<4>,2|H<1>,6|C<3>}	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	109.9630	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:4:3:	C[6,6a]-3:N[6,6]-3:O[6]-2:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6]C[6a])(O[6]C[6,6a])(H)	C[6,6a](C[6,6]N[6,6]O[6]H)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(C[6a]N[6a]2){6|C<3>}	108.7070	0.751	2	108.7070	0.564	2	108.7070	0.564	2	108.7070	0.564	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	112.1330	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:3:	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[6,6a]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[3]N[6]){2|C<4>,3|H<1>,5|C<3>}	111.9010	0.000	1	111.9010	0.000	1	112.4295	0.559	2	112.4295	0.559	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:3:	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[6,6a]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	112.9580	0.000	1	112.9580	0.000	1	112.4295	0.559	2	112.4295	0.559	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	110.5605	0.391	2	110.6163	0.086	3	111.6846	2.354	5	111.6846	2.354	5	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	110.7280	0.000	1	110.6163	0.086	3	111.6846	2.354	5	111.6846	2.354	5	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	112.7020	0.000	1	112.7020	0.000	1	111.6846	2.354	5	111.6846	2.354	5	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	113.8720	0.000	1	113.8720	0.000	1	111.6846	2.354	5	111.6846	2.354	5	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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[6a]-3:P[6,6]-3:	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)	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2)	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>}	N[6,6](C[6,6]C[6,6a]2H)(C[6a]C[6a]2)(P[6,6]O[6]2){2|H<1>,6|C<3>}	109.6285	1.614	2	109.6285	2.606	2	109.6285	2.606	2	109.4663	9.957	4	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]N[6]N)(C[6]N[6]S){1|H<1>,4|C<3>}	105.6190	0.000	1	105.6190	0.000	1	105.6190	0.000	1	109.4663	9.957	4	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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]-3:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	112.9890	0.000	1	112.9890	0.000	1	112.9890	0.000	1	109.4663	9.957	4	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	109.8005	1.064	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	110.5300	0.000	1	110.5300	0.000	1	110.5300	0.000	1	109.8005	1.064	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	C[6,6a]-3:C[6]-3:C[6a]-3:N[6,6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2)	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]N[5,6]O)(C[6a]C[6a]2)(N[6,6]C[6]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6,6a](C[6,6]N[6,6]C[6a]C[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6a]C[6])(C[6]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.7870	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:3:4:	4:3:3:	4:4:3:	C[5a,6]-3:C[6,6a]-3:N[6,6]-3:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3)	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(CH3){1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6a](C[6,6]C[5a,6]N[6,6]C)(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[5a,6]C[6,6a]C)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	107.1250	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	111.5410	0.000	1	111.6450	0.022	2	111.6450	0.022	2	111.6450	0.022	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	111.7490	0.000	1	111.6450	0.022	2	111.6450	0.022	2	111.6450	0.022	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,3|H<1>,6|C<3>}	113.1550	0.000	1	113.1550	0.000	1	113.1550	0.000	1	112.0717	1.237	3	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	111.5300	0.844	2	111.5300	0.713	2	111.5300	0.713	2	112.0717	1.237	3	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	107.5180	0.000	1	107.5180	0.000	1	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	109.3545	0.616	2	109.3545	0.379	2	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	111.5615	0.248	2	111.3853	0.124	3	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	111.0330	0.000	1	111.3853	0.124	3	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	111.7130	0.000	1	111.7130	0.000	1	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	109.7990	0.000	1	111.0768	1.488	5	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|N<3>,2|C<3>,6|H<1>}	111.3963	1.142	4	111.0768	1.488	5	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	108.2430	0.000	1	108.2430	0.000	1	110.4402	2.386	13	110.4402	2.386	13	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:4:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:C[6]-4:C-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3)	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]HH)(CF3){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]C)(C[6,6a]C[6a]N[6])(C[6a]C[6a]H){1|Cl<1>,1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]O)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	108.5160	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:3:4:4:	4:3:3:	4:4:3:	C[6,6a]-3:N[6,6]-3:C[6]-4:P-4:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:S[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3)	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]S[6])(C[6]C[6]HH)(PO3){1|H<1>,1|O<2>,3|O<1>,4|C<3>}	C[6,6a](C[6,6]N[6,6]C[6]P)(C[6,6a]C[6a]O[6])(C[6a]C[6a]H){1|S<4>,3|C<3>,4|H<1>}	N[6,6](C[6,6]C[6,6a]C[6]P)(S[6]O[6]OO)(C[6]C[6]O){3|C<3>,3|H<1>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:3:	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]-3:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.3620	0.000	1	113.3620	0.000	1	113.3620	0.000	1	113.3620	0.000	1	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[3,6]O)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	109.5990	0.000	1	109.5990	0.000	1	111.4667	1.397	9	111.4667	1.397	9	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	112.3780	0.000	1	112.3780	0.000	1	111.4667	1.397	9	111.4667	1.397	9	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.2442	0.265	4	112.2442	0.070	4	111.4667	1.397	9	111.4667	1.397	9	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]O)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.4175	0.039	2	111.4175	0.002	2	111.4667	1.397	9	111.4667	1.397	9	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	109.4110	0.000	1	109.4110	0.000	1	111.4667	1.397	9	111.4667	1.397	9	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]O){3|C<3>,3|C<4>,3|H<1>}	112.2810	0.000	1	112.2810	0.000	1	112.0290	0.127	2	112.0290	0.127	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	111.7770	0.000	1	111.7770	0.000	1	112.0290	0.127	2	112.0290	0.127	2	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	112.3950	0.000	1	112.3950	0.000	1	112.3950	0.000	1	111.0083	1.481	3	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]HH)(C[6]O[6]O){1|N<3>,3|C<3>,3|H<1>}	110.3150	0.277	2	110.3150	0.077	2	110.3150	0.077	2	111.0083	1.481	3	110.8882	3.088	55	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	105.6000	0.000	1	107.9455	11.003	2	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6,6]	C[6,6a]	N[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	110.2910	0.000	1	107.9455	11.003	2	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	112.3050	0.000	1	112.3050	0.000	1	111.4680	0.526	3	112.5987	0.512	16	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.0495	0.043	2	111.0495	0.002	2	111.4680	0.526	3	112.5987	0.512	16	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	113.7070	0.000	1	113.7070	0.000	1	113.7070	0.000	1	112.5987	0.512	16	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	112.7890	0.320	12	112.7890	0.103	12	112.7890	0.103	12	112.5987	0.512	16	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N)	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>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]N){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	111.4910	0.000	1	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-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]C[6a]N[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	112.9140	0.144	2	112.9140	0.021	2	112.9140	0.021	2	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]Br)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.5160	0.000	1	111.5160	0.000	1	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	110.3890	0.000	1	110.3890	0.000	1	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]2)(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	113.0315	0.513	12	113.0315	0.263	12	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.2570	0.294	2	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.7115	0.204	2	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	112.6380	0.409	6	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	111.9820	0.000	1	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.7528	0.675	5	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.3950	0.381	4	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	112.6478	0.303	12	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.9529	0.412	12	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.8433	0.631	6	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<3>,4|C<3>}	113.2248	1.386	4	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Se<2>,1|C<4>,4|C<3>}	112.8030	0.140	2	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.4310	0.000	1	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	110.2960	0.000	1	112.1481	0.593	58	112.2622	0.685	72	112.2798	0.678	74	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	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[6,6]-3:C[6]-3:	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)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	112.1120	0.000	1	113.0550	1.778	2	113.0550	1.778	2	113.0550	1.778	2	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:3:3:	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[6,6]-3:C[6]-3:	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)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	113.9980	0.000	1	113.0550	1.778	2	113.0550	1.778	2	113.0550	1.778	2	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:3:	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[6,6]-4:C[6]-3:	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)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	112.7960	0.000	1	112.7960	0.000	1	113.4550	0.869	2	113.4550	0.869	2	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:3:	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[6,6]-4:C[6]-3:	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)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	114.1140	0.000	1	114.1140	0.000	1	113.4550	0.869	2	113.4550	0.869	2	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	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[3x6]-4:C[6,6a]-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)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	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>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	110.3810	0.000	1	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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[6,6]-3:C[6]-3:	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)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|H<1>,6|C<3>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6]-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)	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){1|S<2>,2|H<1>,5|C<3>}	108.5005	0.375	2	108.5005	0.141	2	108.5005	0.141	2	109.3240	0.955	4	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6]-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)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	110.2230	0.000	1	110.2230	0.000	1	110.1475	0.011	2	109.3240	0.955	4	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6]-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)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6,6a]N[6])(C[6]C[6]HH){2|H<1>,6|C<3>}	110.0720	0.000	1	110.0720	0.000	1	110.1475	0.011	2	109.3240	0.955	4	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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[6,6]-4:C[6]-3:	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)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]2H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	110.2500	0.000	1	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6,6]	3:3:4:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4: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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	111.3550	0.000	1	112.1600	1.235	103	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5a,6]-3:C[6]-4:C-3:	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)	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O)	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>}	N[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]HH)(CC[6a]O){1|H<1>,1|S<2>,3|C<3>}	111.8700	0.000	1	111.8700	0.000	1	111.8700	0.000	1	109.5967	2.556	7	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:B[5]-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(B[5]O[5]2){1|H<1>,2|C<4>,4|C<3>}	110.8950	0.277	2	110.8950	0.077	2	110.8950	0.077	2	109.5967	2.556	7	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CCO){1|H<1>,4|C<3>}	109.0460	0.000	1	109.0460	0.000	1	108.3792	0.264	4	109.5967	2.556	7	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	108.1570	0.315	3	108.1570	0.099	3	108.3792	0.264	4	109.5967	2.556	7	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	112.1560	0.000	1	112.1560	0.000	1	112.1560	0.000	1	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	110.5930	0.000	1	110.5930	0.000	1	110.3683	2.727	3	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	111.8960	0.000	1	111.8960	0.000	1	110.3683	2.727	3	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6,6a]HH)(SC[6a]OO){4|C<3>}	108.6160	0.000	1	108.6160	0.000	1	110.3683	2.727	3	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6a]-3:C[6]-4:P[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)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO)	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)(P[6]O[6]OO){1|H<1>,4|C<3>}	112.9680	0.000	1	112.9680	0.000	1	112.9680	0.000	1	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6a]-3:P[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)	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH)	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>}	N[6](C[6a]C[6a]N[6a])(P[6]C[6a]O[6]O)(C[6]C[6,6a]HH){1|H<1>,6|C<3>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	111.1835	2.335	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]N[6])(H){4|C<3>}	109.3690	0.146	2	109.3690	0.021	2	109.8087	0.591	3	109.8087	0.591	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(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>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	110.6880	0.000	1	110.6880	0.000	1	109.8087	0.591	3	109.8087	0.591	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:B[5]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[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>}	N[6](C[6]C[6,6a]HH)(B[5]O[5]2)(C[6]C[6]H){1|B<3>,2|C<3>,2|C<4>}	111.9380	0.000	1	111.9380	0.000	1	111.9380	0.000	1	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){5|C<3>}	109.1370	0.000	1	109.2945	0.050	2	110.5877	3.805	4	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(CCO){1|H<1>,4|C<3>}	109.4520	0.000	1	109.2945	0.050	2	110.5877	3.805	4	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6a]C[6])(COO){1|H<1>,4|C<3>}	110.3520	0.000	1	110.3520	0.000	1	110.5877	3.805	4	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]O)(CNO){1|H<1>,2|C<3>}	113.4100	0.000	1	113.4100	0.000	1	110.5877	3.805	4	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]N){4|C<3>,4|H<1>}	111.4550	0.000	1	111.4550	0.000	1	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,3|H<1>,4|C<3>}	109.9550	0.198	2	109.9550	0.039	2	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	111.3690	0.000	1	111.2465	0.216	4	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	111.5150	0.000	1	111.2465	0.216	4	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,4|C<3>}	111.0510	0.696	2	111.2465	0.216	4	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	113.4040	0.000	1	112.2580	2.627	2	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	111.1120	0.000	1	112.2580	2.627	2	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	109.1568	0.632	12	109.1568	0.399	12	110.0356	1.737	21	110.1937	2.014	26	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[5]-3: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)	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[5]N[5]O[5])(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	110.6060	0.000	1	110.6060	0.000	1	110.6060	0.000	1	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]H)(CC[6a]HH){1|Ru<9>,2|C<3>}	110.1800	0.000	1	110.1800	0.000	1	111.7480	1.082	6	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]Rh)(CC[6a]HH){1|C<4>,2|C<3>}	112.1920	0.000	1	112.1920	0.000	1	111.7480	1.082	6	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CCHH){2|C<3>}	112.0420	0.877	2	112.0420	0.769	2	111.7480	1.082	6	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]O)(CH3){2|C<3>}	111.1020	0.000	1	111.1020	0.000	1	111.7480	1.082	6	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]S[6]S)(CC[6a]HH){2|C<3>}	112.9300	0.000	1	112.9300	0.000	1	111.7480	1.082	6	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]C)(SCOO){1|H<1>,2|C<3>}	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,2|H<1>,5|C<3>}	110.4080	0.000	1	110.7910	0.293	2	110.9380	0.178	4	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|H<1>,4|C<3>}	111.1740	0.000	1	110.7910	0.293	2	110.9380	0.178	4	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	110.8060	0.000	1	111.0850	0.156	2	110.9380	0.178	4	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	111.3640	0.000	1	111.0850	0.156	2	110.9380	0.178	4	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3:P[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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(P[6]O[6]OO){2|H<1>,4|C<3>}	109.7310	0.000	1	109.7310	0.000	1	109.7310	0.000	1	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6a]-3: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)	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	113.3295	0.337	2	113.3295	0.114	2	113.3295	0.114	2	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	P[6,6]-4:C[6a]-3: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)	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6a]C[6a]N[6a])(C[6]C[6,6a]HH){1|H<1>,2|P<4>,4|C<3>}	114.7045	1.524	2	114.7045	2.322	2	114.7045	2.322	2	111.9150	2.401	17	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[4,6]-4:C[6]-4:H-1:	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)	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(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>}	N[6](C[4,6]C[4,6]C[4]H)(C[6]C[6,6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	112.7750	0.022	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:H-1:	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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	112.7750	0.022	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(NN){2|C<3>,2|H<1>}	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C-3:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(COO){5|C<3>}	108.8000	0.000	1	108.8000	0.000	1	108.8000	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-3:	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)	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO)	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>}	N[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6,6a]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	110.7220	0.000	1	110.7220	0.000	1	111.1060	0.295	2	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-3:	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)	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO)	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>}	N[6](C[5,6]C[5]2C[6])(C[6]C[6,6a]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	111.4900	0.000	1	111.4900	0.000	1	111.1060	0.295	2	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[5,6]C[5]C[6]N[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,7|C<3>}	114.0860	0.000	1	114.0860	0.000	1	114.0860	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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[3]-4:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C)	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>}	N[6](C[6]C[6,6a]HH)(C[3]C[3]2H)(C[6]N[6]C){2|C<3>,5|H<1>}	113.6760	0.000	1	113.6760	0.000	1	113.6760	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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[6,6]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO)	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>}	N[6](C[6]C[6,6a]HH)(C[6,6]C[6]3)(CCO){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	110.9560	0.000	1	110.9560	0.000	1	110.9560	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	111.7540	0.000	1	111.7540	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CCO){2|C<3>,2|H<1>}	108.0640	0.000	1	108.0640	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|F<1>,1|H<1>,2|C<3>}	111.1800	0.000	1	112.5170	3.575	2	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]O){1|H<1>,3|C<3>}	113.8540	0.000	1	112.5170	3.575	2	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CNO){2|C<3>,2|H<1>}	111.2255	2.734	2	111.2255	7.477	2	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(COO){2|C<3>,2|H<1>}	109.7160	1.105	2	109.7160	1.220	2	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	113.4000	0.000	1	113.4000	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCS){2|C<3>,2|H<1>}	113.9270	0.000	1	113.9270	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5]O){2|C<3>,2|H<1>}	113.0670	0.000	1	113.0670	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[5a]O){2|C<3>,2|H<1>}	112.1780	0.000	1	112.1780	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CN[6]S){2|C<3>,2|H<1>}	111.9860	0.000	1	111.9860	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSS){2|C<3>,2|H<1>}	111.1360	0.000	1	111.1360	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CSeN){2|C<3>,2|H<1>}	111.2060	0.000	1	111.2060	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	111.0630	0.000	1	111.0630	0.000	1	111.5436	3.051	16	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]N[6]H){2|C<3>,3|C<4>,4|H<1>}	110.5550	0.000	1	110.5550	0.000	1	110.5550	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6]-4:C[6]-4:C[6a]-3:	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)	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](P[6]C[6a]O[6]S)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	111.8410	0.000	1	111.8410	0.000	1	111.8410	0.000	1	111.5343	2.886	24	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	113.5820	0.000	1	113.5820	0.000	1	113.5820	0.000	1	112.1935	4.068	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	114.0010	0.000	1	114.0010	0.000	1	111.7307	4.817	3	112.1935	4.068	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	110.5955	1.380	2	110.5955	1.903	2	111.7307	4.817	3	112.1935	4.068	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	5:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3x6]-5:C[6]-4:C[6a]-3:	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)	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](Nb[3x6]P[3x6]N[6]2N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	112.4533	1.313	3	112.4533	1.725	3	112.4533	1.725	3	112.4533	1.725	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	6:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3x6]-6:C[6]-4:C[6a]-3:	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)	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](Nb[3x6]P[3x6]N[6]3N)(C[6]C[6,6a]HH)(C[6a]C[6a]2){10|C<3>,2|C<4>,2|H<1>}	113.9210	1.764	3	113.9210	3.112	3	113.9210	3.112	3	114.0678	1.995	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	6:4:3:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3,5,6,6]-6:C[6]-4:C[6a]-3:	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)	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](Nb[3,5,6,6]P[5,6,6]C[3,5]N[3]N[6]C)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,9|C<3>}	114.2880	1.263	2	114.2880	1.595	2	114.2880	1.595	2	114.0678	1.995	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	8:4:3:	N[6]-3:C[6,6a]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Nb[3x3,5,6,6]-8:C[6]-4:C[6a]-3:	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)	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](Nb[3x3,5,6,6]P[5,6,6]C[3,5]S[3,3]N[3]N[6]O[3]2)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,9|C<3>}	117.0600	3.118	2	117.0600	9.724	2	117.0600	9.724	2	117.0600	9.724	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:2:4:	4:3:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:C[6]-3: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)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(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>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.3480	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:O-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	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)	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H)	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>}	N[6](C[6]C[6,6a]HO)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	109.4733	3.834	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.3480	0.266	2	108.3480	0.071	2	108.3480	0.071	2	109.4733	3.834	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.1430	0.000	1	112.8220	0.370	3	112.8220	0.370	3	112.2085	1.752	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){1|I<1>,3|H<1>,4|C<3>}	113.0060	0.000	1	112.8220	0.370	3	112.8220	0.370	3	112.2085	1.752	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.3170	0.000	1	112.8220	0.370	3	112.8220	0.370	3	112.2085	1.752	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	112.2085	1.752	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	111.5755	0.900	2	111.5755	0.810	2	111.9087	0.738	3	111.5065	2.239	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	112.5750	0.000	1	112.5750	0.000	1	111.9087	0.738	3	111.5065	2.239	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Si[6]-4:C[6]-4:C[6a]-3:	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)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	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>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	111.5065	2.239	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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[5,6]-4:C[6]-4:C-3:	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)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO)	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>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6a]HO)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	111.5065	2.239	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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[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)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(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>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(CC[5]O){2|C<3>,2|H<1>}	112.1290	0.000	1	112.1290	0.000	1	112.1290	0.000	1	111.5065	2.239	6	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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:S[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)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(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>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:2:4:	3:2:4:	4:3:1:	C[6,6a]-3:N[6]-3:O-2:C-4:	N[6,6a]-3:N[6a]-2:C[6]-4:	C[6]-4:C[6]-3:H-1:	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)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.1080	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	3:4:2:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6a]-3:C[6]-4:N[6]-2:	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)	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6])	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>}	N[6](C[6a]C[6a]N[6a])(C[6]C[6,6a]HN)(N[6]C[6]){2|H<1>,4|C<3>}	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	109.5020	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO)	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>}	N[6](C[6,6a]C[6,6a]2)(C[6]C[6,6a]CH)(CCO){1|O<2>,4|C<3>}	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	108.2920	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:2:3:	C[6,6a]-3:N[6]-3:N-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-3:	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)	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC)	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>}	N[6](C[6]C[6,6a]HN)(N[6]C[6])(CCC){1|H<1>,2|C<3>}	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	112.4610	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]C)(H){4|C<3>}	107.9330	0.000	1	107.9330	0.000	1	108.3893	0.160	3	108.3893	0.160	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(H){4|C<3>}	108.6175	0.086	2	108.6175	0.007	2	108.3893	0.160	3	108.3893	0.160	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	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[6]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	111.1810	0.000	1	111.1810	0.000	1	109.9810	2.880	2	109.2987	1.602	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	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[6]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	108.7810	0.000	1	108.7810	0.000	1	109.9810	2.880	2	109.2987	1.602	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]HN)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.6165	0.255	2	108.6165	0.065	2	108.6165	0.065	2	109.2987	1.602	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(SC[6a]OO){2|C<3>,2|H<1>}	109.0310	0.000	1	109.0310	0.000	1	108.6340	0.315	2	109.4450	2.131	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]O)(SC[6a]OO){1|H<1>,2|C<3>}	108.2370	0.000	1	108.2370	0.000	1	108.6340	0.315	2	109.4450	2.131	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]CH){2|H<1>,4|C<3>}	111.0670	0.000	1	111.0670	0.000	1	111.0670	0.000	1	109.4450	2.131	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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:P[6]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	108.4450	0.000	1	108.4450	0.000	1	108.3150	0.034	2	108.3150	0.034	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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:P[6]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]OO)(CC[6a]CH){4|C<3>}	108.1850	0.000	1	108.1850	0.000	1	108.3150	0.034	2	108.3150	0.034	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:5:1:	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:P[6,6]-5:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	109.3510	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:2:	4:3:1:	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]-3:H-1:	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])	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6,6a]N[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>,3|C<4>}	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	108.6160	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:	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)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	110.3430	0.000	1	110.3430	0.000	1	110.3430	0.000	1	109.2620	2.337	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){2|H<1>,9|C<3>}	108.1810	0.000	1	108.1810	0.000	1	108.1810	0.000	1	109.2620	2.337	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]C)(H){4|C<3>}	109.2970	0.000	1	109.2970	0.000	1	108.6775	0.566	4	108.6775	0.566	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]O)(H){1|H<1>,4|C<3>}	108.7270	0.000	1	108.7270	0.000	1	108.6775	0.566	4	108.6775	0.566	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	109.0810	0.000	1	109.0810	0.000	1	108.6775	0.566	4	108.6775	0.566	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]N[6]S)(H){4|C<3>}	107.6050	0.000	1	107.6050	0.000	1	108.6775	0.566	4	108.6775	0.566	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	107.9630	0.000	1	107.9630	0.000	1	108.3205	0.256	2	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	108.6780	0.000	1	108.6780	0.000	1	108.3205	0.256	2	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6])(CCO){1|H<1>,6|C<3>}	109.2300	0.000	1	109.2300	0.000	1	109.2300	0.000	1	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:S-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	110.9370	0.329	3	110.9370	0.108	3	110.9370	0.108	3	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO)	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>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	110.8275	0.204	2	110.8275	0.042	2	110.8275	0.042	2	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]O[6]O){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	111.1780	0.359	3	111.1780	0.129	3	111.1780	0.129	3	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	108.4430	0.000	1	108.4430	0.000	1	108.4430	0.000	1	109.9992	1.916	13	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]N[6]O)(CC[6a]HH){1|H<1>,4|C<3>}	110.4470	0.000	1	110.4470	0.000	1	109.8720	2.270	6	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	108.7190	0.000	1	109.7570	2.738	5	109.8720	2.270	6	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	109.5573	1.881	3	109.7570	2.738	5	109.8720	2.270	6	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]O[6]O)(CC[6a]HH){1|N<2>,1|N<3>,2|C<3>}	111.3940	0.000	1	109.7570	2.738	5	109.8720	2.270	6	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	108.8420	0.000	1	108.8420	0.000	1	108.8420	0.000	1	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]N)(SC[6a]OO){1|H<1>,4|C<3>}	111.3920	0.000	1	111.3920	0.000	1	109.6312	3.687	4	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]S)(SC[6a]OO){1|H<1>,4|C<3>}	110.0250	0.000	1	110.0250	0.000	1	109.6312	3.687	4	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]O)(SC[6a]OO){4|C<3>}	106.8980	0.000	1	106.8980	0.000	1	109.6312	3.687	4	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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]-3:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]S[6]C)(SC[6a]OO){4|C<3>}	110.2100	0.000	1	110.2100	0.000	1	109.6312	3.687	4	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	109.5870	0.000	1	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	110.9802	0.988	5	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	110.6910	0.000	1	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	113.2070	0.000	1	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	109.7830	0.000	1	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	110.5287	0.410	3	110.8129	1.176	12	110.8129	1.176	12	110.2763	1.977	23	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:O-1:	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)	N[6](C[6]C[6,6a]C[6a]H)2(O)	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>}	N[6](C[6]C[6,6a]C[6a]H)2(O){7|C<3>}	108.7455	1.302	2	108.7455	1.695	2	108.7455	1.695	2	108.7455	1.695	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:2:	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]-4:N-2:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(NO){2|H<1>,6|C<3>}	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CC[5]H){2|H<1>,4|C<3>}	111.3680	0.000	1	111.3680	0.000	1	110.1193	1.213	3	110.1193	1.213	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]C[6]H)(CCO){2|H<1>,6|C<3>}	109.4950	0.297	2	109.4950	0.088	2	110.1193	1.213	3	110.1193	1.213	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(SCOO){2|H<1>,4|C<3>}	108.2165	0.175	2	108.2165	0.031	2	108.2165	0.031	2	108.0290	0.121	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SCOO){5|C<3>}	107.6540	0.000	1	107.6540	0.000	1	107.6540	0.000	1	108.0290	0.121	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C-3:O-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]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>}	N[6](C[6]C[6,6a]CO)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	109.5340	0.313	2	109.5340	0.098	2	109.5340	0.098	2	109.5340	0.098	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:2:	3:4:3:	4:3:3:	C[6,6a]-3:C[6a]-3:N[6]-3:C-2:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]C)(CC){4|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H){3|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){2|H<1>,8|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(H){1|H<1>,8|C<3>}	103.6510	0.000	1	103.6510	0.000	1	103.6510	0.000	1	105.4370	6.380	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]O)(C[6a]C[6a]2)2{5|H<1>,8|C<3>}	C[6,6a](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]2N[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,7|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]2)(O){1|H<1>,8|C<3>}	107.2230	0.000	1	107.2230	0.000	1	107.2230	0.000	1	105.4370	6.380	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:3:1:	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:C[6]-3:H-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)	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[5a]C)(C[6]O[6]O)(H){1|N<3>,3|C<3>}	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	107.9910	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:3:4:	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:C[6]-3:C-4:	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)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]N[6])(CC[6a]HH){6|C<3>}	108.7830	0.054	2	108.7830	0.003	2	108.7830	0.003	2	108.7830	0.003	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:4:1:	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:S[6]-4:H-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)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	108.6400	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:4:3:	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:C[6]-4:C-3:	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)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6]HH)(CC[6a]O){2|H<1>,4|C<3>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:3:4:	3:4:3:	4:3:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6]C[6a]N[6]C)(C[6a]C[6a]H)	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]C[6]H)(CF3){1|N<3>,1|O<1>,1|O<2>,2|H<1>,4|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|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]N[6]O)(H){1|C<4>,4|C<3>}	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	109.9280	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6](C[6,6a]C[6,6a]C[6a])(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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(C[6a]C[6a]2){3|H<1>,6|C<3>}	109.4080	0.000	1	109.4080	0.000	1	109.4080	0.000	1	108.5340	1.528	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:N-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(NCC){1|H<1>,4|C<3>}	107.6600	0.000	1	107.6600	0.000	1	107.6600	0.000	1	108.5340	1.528	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.5995	0.337	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.5995	0.337	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	110.0320	0.000	1	110.0320	0.000	1	109.5150	0.232	3	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	109.0780	0.000	1	109.0780	0.000	1	109.5150	0.232	3	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(CCO){3|C<3>}	109.4350	0.000	1	109.4350	0.000	1	109.5150	0.232	3	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Cl<1>,2|H<1>,6|C<3>}	110.0950	0.000	1	110.0950	0.000	1	108.8735	2.984	2	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	107.6520	0.000	1	107.6520	0.000	1	108.8735	2.984	2	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:N-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	107.4680	0.000	1	107.4680	0.000	1	109.2870	6.618	2	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:N-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	111.1060	0.000	1	111.1060	0.000	1	109.2870	6.618	2	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]O){3|H<1>,4|C<3>}	109.6055	0.347	2	109.6055	0.121	2	109.4350	0.938	6	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,4|C<3>}	109.0807	1.344	3	109.0807	1.807	3	109.4350	0.938	6	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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[6a]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]O[6]O){2|H<1>,4|C<3>}	110.1570	0.000	1	110.1570	0.000	1	109.4350	0.938	6	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-3:C-3:	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)	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]CH)(N[6]C[6a]C[6])(CCO){1|O<1>,4|C<3>}	106.4090	0.000	1	106.4090	0.000	1	106.4090	0.000	1	109.1346	1.796	14	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]N[6]Ir)(CC[6a]HH){1|C<4>,2|C<3>}	106.0290	0.509	2	106.0290	0.259	2	108.9565	11.641	4	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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]-3:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]O)(CC[6a]HH){1|H<1>,1|S<2>,2|C<3>}	111.8840	0.619	2	111.8840	0.384	2	108.9565	11.641	4	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]C)(SC[6a]OO){1|O<1>,2|C<3>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	110.3470	0.000	1	110.3470	0.000	1	111.4310	4.487	4	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	114.5520	0.000	1	114.5520	0.000	1	111.4310	4.487	4	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	110.4125	0.687	2	110.4125	0.471	2	111.4310	4.487	4	110.4299	8.081	9	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	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]-4:O-1:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(O){2|C<3>,2|H<1>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	114.2800	23.003	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.8050	0.000	1	111.5160	0.167	2	111.5160	0.167	2	114.2800	23.003	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.2270	0.000	1	111.5160	0.167	2	111.5160	0.167	2	114.2800	23.003	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-3:	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)	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO)	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>}	N[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]CH)(COO){1|Br<1>,1|C<4>,4|C<3>}	111.7640	0.000	1	111.7640	0.000	1	111.7640	0.000	1	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.4040	0.000	1	110.7690	0.266	2	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	111.1340	0.000	1	110.7690	0.266	2	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CNO){2|C<3>,2|H<1>}	111.4310	0.000	1	111.4310	0.000	1	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	109.9460	0.000	1	109.9460	0.000	1	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]O){2|C<3>,2|H<1>}	110.6100	0.000	1	110.6100	0.000	1	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.0775	0.501	2	110.0775	0.251	2	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	110.8220	0.000	1	110.8220	0.000	1	110.5627	0.325	8	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	Si[6]-4:C[6]-4:C[6a]-3:	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)	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2)	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>}	N[6](Si[6]C[6a]O[6]O)(C[6]C[6,6a]CH)(C[6a]C[6a]2){1|H<1>,1|N<2>,6|C<3>}	110.1280	0.000	1	110.1280	0.000	1	110.1280	0.000	1	110.6394	0.428	10	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SCOO){3|C<3>}	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	109.1950	0.082	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P[6]-4:S-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)	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(P[6]O[6]CO)(SC[6a]OO){2|C<3>}	109.3970	0.000	1	109.3970	0.000	1	109.3970	0.000	1	109.1950	0.082	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:2:	3:2:4:	4:3:1:	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[6]-3:H-1:	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)	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6,6a]CO)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	108.6727	0.455	3	108.6727	0.207	3	108.6727	0.207	3	108.6727	0.207	3	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:2:	3:3:4:	4:3:1:	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[6]-3:H-1:	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)	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H)	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>}	N[6](C[6]C[6,6a]CO)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	110.4970	0.573	2	110.4970	0.328	2	110.4970	0.328	2	110.4970	0.328	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:2:	3:3:4:	4:3:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CC[6a]CH)(CN){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]CC){3|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]H)(CC[6a]O){1|H<1>,2|C<3>}	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:2:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CCCH)(CN){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<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(COO){2|C<3>,2|H<1>}	111.5910	0.092	2	111.5910	0.008	2	111.9140	0.394	4	111.9140	0.394	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:2:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-2:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CH3)(CN){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<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	112.2370	0.870	2	112.2370	0.756	2	111.9140	0.394	4	111.9140	0.394	4	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	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[6]-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)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(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>}	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	3:4:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(CH3)2{1|N<3>,1|O<1>,3|C<3>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]O)(C[6]N[6]CC){2|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CC)(H){1|H<1>,4|C<3>}	109.9440	1.179	2	109.9440	1.391	2	109.9440	1.391	2	109.9440	1.391	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CCHH)2{1|H<1>,1|N<2>,3|C<3>}	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC){2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6a]N[6])(H){4|C<3>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	109.3145	0.803	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:P-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CP)	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CF3)(PO3){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]CP){1|Cl<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CP)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.3145	0.803	2	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[3x6]-4:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[3x6]O)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	C[6,6a](C[6,6a]C[4x6]C[6a])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	N[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6a]CC)(O){1|H<1>,2|C<3>,4|C<4>}	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	111.0890	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHO)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CCO){2|C<3>,2|H<1>}	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:C[5]-4:N[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[5]H)(CCO){1|O<2>,2|H<1>,5|C<3>}	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	109.2560	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:2:3:	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:N[6]-2:C-3:	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)	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO)	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>}	N[6](C[6]C[6,6a]C[5]H)(N[6]C[6])(CCO){1|O<2>,2|H<1>,3|C<3>}	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.3780	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	107.9750	0.000	1	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	111.4960	0.059	2	111.1273	0.410	3	110.7762	1.047	5	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(COO){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	110.3900	0.000	1	111.1273	0.410	3	110.7762	1.047	5	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	111.3550	0.000	1	111.3550	0.000	1	110.7762	1.047	5	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]N[6]H)(CCO){1|H<1>,1|N<3>,3|C<3>}	109.1440	0.000	1	109.1440	0.000	1	110.7762	1.047	5	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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:B[5]-3:C[6]-3:	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)	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H)	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>}	N[6](C[6]C[6,6a]C[6]H)(B[5]O[5]2)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	110.7565	1.008	2	110.7565	1.015	2	110.7565	1.015	2	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:3:3:	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]-3:C-3:	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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>,3|C<3>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.7296	0.757	8	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	112.1740	0.000	1	112.1740	0.000	1	112.3475	0.060	2	110.6994	4.337	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	112.5210	0.000	1	112.5210	0.000	1	112.3475	0.060	2	110.6994	4.337	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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]-3:C-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)	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]O[6]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	108.6200	1.570	2	108.6200	2.464	2	108.6200	2.464	2	110.6994	4.337	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP2	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	111.5620	0.000	1	111.5620	0.000	1	111.5620	0.000	1	110.6994	4.337	5	110.5088	3.926	272	110.7738	4.327	454
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:3:	3:4:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]C[6a,6a]H){1|H<1>,2|C<4>,7|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	103.4160	0.000	1	103.4160	0.000	1	103.7820	0.268	2	103.7820	0.268	2	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:3:	3:4:3:	4:3:4:	C[6,6,6a]-3:N[6,6]-3:N[6,6]-3:C[6a]-3:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[6,6]-3:C-4:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2)	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H)	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6]C)2(C[6a]C[6a]2){1|C<4>,1|N<2>,2|O<1>,3|C<3>,3|H<1>}	C[6,6,6a](C[6,6,6a]C[3x6]C[6a])(C[3x6]N[6,6]2C[6a])(C[6a]N[6a]H){1|H<1>,2|C<4>,6|C<3>}	N[6,6](C[3x6]C[6,6,6a]N[6,6]C[6a])(C[6,6]C[3x6]O)(CH3){1|C<4>,6|C<3>}	104.1480	0.000	1	104.1480	0.000	1	103.7820	0.268	2	103.7820	0.268	2	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:3:3:4:	4:3:3:	4:2:3:	C[6,6,6a]-3:C[6,6,6a]-3:N[6,6]-3:C-4:	C[3x6]-4:C[6,6,6a]-3:C[6a]-3:	C[3x6]-4:O[6,6]-2:C-3:	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3)	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])2(N[6,6]O[6,6]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[6,6,6a](C[3x6]C[6,6,6a]N[6,6]C)(C[6,6,6a]C[3x6]C[6a])(C[6a]C[6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	N[6,6](C[3x6]C[6,6,6a]2C)(O[6,6]C[3x6])(COO){1|C<4>,4|C<3>}	104.5625	0.395	2	104.5625	0.156	2	104.5625	0.156	2	104.5625	0.156	2	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH)	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>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[4x6]O[6]H)(CCHH){1|C<4>,3|C<3>,3|H<1>}	110.5280	0.000	1	110.5280	0.000	1	110.5280	0.000	1	110.1355	0.308	2	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:4:3:1:	3:4:3:	4:4:4:	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[6,6]-4:S-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)	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO)	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>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6,6]C[3x6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.1355	0.308	2	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6,6a]	N[6,6]	3:4:3:4:	3:4:3:	4:4:4:	C[6,6,6a]-3:C[6,6]-4:N[6,6]-3:C-4:	C[6,6,6a]-3:C[3x6]-4:C[6a]-3:	C[3x6]-4:C[3x6]-4:C-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)(CH3)	C[6,6,6a](C[6,6,6a]C[4x6]C[6a])(C[3x6]C[6,6]N[6,6]C)(C[6a]C[6a]H)	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3)	C[3x6](C[6,6,6a]C[6,6,6a]C[6a])(C[6,6]C[3x6]HH)(N[6,6]C[3x6]C)(CH3){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]C)(C[6a]C[6a]H){1|C<3>,3|C<4>,5|H<1>}	N[6,6](C[3x6]C[6,6,6a]C[6,6]C)(C[3x6]C[4x6]O[6]H)(CH3){1|C<4>,3|C<3>,3|H<1>}	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	108.7690	0.000	1	106.5327	9.098	7	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[3x6]	C[6,6a]	N[3x6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[6,6]-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)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	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>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	110.8445	0.367	2	110.8445	0.135	2	110.8445	0.135	2	110.8445	0.135	2	110.8445	0.135	2	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	109.7380	0.000	1	110.9403	1.343	3	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6,6a]	N[6]	3:4:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6,6]C[6,6,6a]C[6]H)(C[6]C[6]HH)(CH3){3|C<3>,4|H<1>}	111.5415	0.719	2	111.5415	0.517	2	111.5415	0.517	2	111.5415	0.517	2	110.9403	1.343	3	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[3x6]	3:3:3:1:	3:4:3:	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[3x6]-4:C[6,6a]-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)	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)	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>}	N[3x6](C[3x6]C[6,6a]N[6,6]H)(C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H){1|C<4>,2|H<1>,6|C<3>}	109.7020	0.123	2	109.7020	0.015	2	109.7020	0.015	2	109.7020	0.015	2	109.7020	0.015	2	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	3:4:3:	4:4:1:	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]-4:H-1:	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])	N[6,6](C[6,6]C[6,6a]O[6]H)2(H)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(H){4|C<3>}	110.2600	3.215	2	110.2600	10.333	2	110.2600	10.333	2	110.2600	10.333	2	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	3:4:3:	4:4:4:	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:P[6,6]-4:C[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])	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	113.1930	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:3:4:	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:N[6]-3:C[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)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.2705	0.753	2	111.5343	4.366	4	111.5343	4.366	4	111.5343	4.366	4	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:3:4:	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:N[6]-3:C[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)	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(N[6]C[5,6]S)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	111.7980	3.500	2	111.5343	4.366	4	111.5343	4.366	4	111.5343	4.366	4	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)2(CH3){4|C<3>}	110.2235	1.513	2	110.2235	2.288	2	110.2235	2.288	2	112.1734	2.381	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	112.7175	0.564	2	112.7175	0.318	2	112.7175	0.318	2	112.1734	2.381	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	113.1107	0.651	3	113.1107	0.423	3	113.1107	0.423	3	112.1734	2.381	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S[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])	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	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>}	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	107.0210	0.000	1	107.0210	0.000	1	107.0210	0.000	1	110.6603	5.140	8	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)2(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	111.4835	1.843	6	111.4835	3.396	6	111.4835	3.396	6	110.6603	5.140	8	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6]HH)(S[6]C[6]OO){2|C<4>,3|C<3>,3|H<1>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	110.6603	5.140	8	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:3:	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[6,6a]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]N[6]C){2|H<1>,5|C<3>}	110.8480	0.000	1	110.8480	0.000	1	111.7390	1.588	2	111.3770	1.187	3	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:3:	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[6,6a]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){1|H<1>,1|I<1>,1|N<3>,7|C<3>}	112.6300	0.000	1	112.6300	0.000	1	111.7390	1.588	2	111.3770	1.187	3	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:3:	C[6,6a]-3:N[6,6]-3:N[6]-3:H-1:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	N[5a,6]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[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>}	N[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6]){3|H<1>,7|C<3>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	111.3770	1.187	3	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	111.5050	0.000	1	111.5050	0.000	1	111.5805	0.011	2	111.5805	0.011	2	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	3:4:4:	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[6,6a]-3:C[6,6]-4:C[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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	111.6560	0.000	1	111.6560	0.000	1	111.5805	0.011	2	111.5805	0.011	2	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:2:	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]-3:O[6]-2:	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)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[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>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6a]C[6])(O[6]C[6]){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:3:	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[6,6a]-3:C[6]-3:	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)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[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>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]){1|N<3>,2|H<1>,7|C<3>}	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	110.1530	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[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)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|N<3>,3|H<1>,5|C<3>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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[5]-4:C[6,6]-4:P[6,6]-3:	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)	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	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>}	N[6,6](C[5]C[5,6a]C[5]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	110.5840	3.066	2	110.5840	9.400	2	110.5840	9.400	2	110.5197	3.003	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6,6]-4:P[6,6]-3:	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)	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2)	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>}	N[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6,6a]2H)(P[6,6]O[6]2){1|C<4>,2|H<1>,6|C<3>}	109.5990	1.780	2	109.5990	3.170	2	109.5990	3.170	2	110.5197	3.003	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	109.7430	0.000	1	109.7430	0.000	1	109.7430	0.000	1	110.5197	3.003	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:3:	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]-4:N[6]-3:	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)	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C)	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>}	N[6,6](C[6,6]C[6,6a]N[6]H)(C[6]C[6]HH)(N[6]C[6]C){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	111.7645	0.206	2	111.7645	0.042	2	111.7645	0.042	2	110.5197	3.003	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2	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>}	N[6,6](C[6,6]C[5a,6]C[6,6a]H)(C[6]C[6]HH)2{1|N<3>,2|C<4>,2|H<1>,3|C<3>}	111.4200	0.000	1	111.4200	0.000	1	111.4200	0.000	1	109.8460	1.720	9	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6]H)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	109.3650	0.000	1	109.3650	0.000	1	109.3650	0.000	1	109.8460	1.720	9	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:S[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)	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO)	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>}	N[6,6](C[6,6]C[6,6a]2H)(C[6]O[6]HH)(S[6]O[6]OO){4|C<3>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	109.8460	1.720	9	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH)	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>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]CH){2|C<4>,4|C<3>}	109.7350	1.739	2	109.7350	3.026	2	109.7160	2.171	6	109.8460	1.720	9	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6]H)2(CC[6a]HH){2|H<1>,4|C<3>}	109.7065	1.615	4	109.7065	2.609	4	109.7160	2.171	6	109.8460	1.720	9	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:3:2:	3:4:3:	3:4:3:	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[6,6a]-3:C[6,6]-4:C[6]-3:	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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6]O)(C[6]C[6,6a]O){2|C<4>,6|C<3>}	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	112.1120	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:2:	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]-4:N[6]-2:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]CC)(N[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]N[6]H)(COO){2|H<1>,5|C<3>}	109.1445	0.278	2	109.1445	0.077	2	109.4640	0.345	3	109.8353	1.359	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6,6]C[6]2H)(COO){1|O<2>,1|S<2>,2|C<3>,5|H<1>}	110.1030	0.000	1	110.1030	0.000	1	109.4640	0.345	3	109.8353	1.359	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	111.7400	0.000	1	111.7400	0.000	1	111.7400	0.000	1	109.8353	1.359	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:S[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	109.5000	1.785	2	109.5000	3.185	2	109.5717	1.608	3	109.8353	1.359	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:3:	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]-4:S[6]-3:	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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)(S[6]O[6]O){1|C<4>,2|C<3>,4|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.5717	1.608	3	109.8353	1.359	7	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<2>,1|C<4>,3|H<1>,5|C<3>}	111.0730	0.000	1	111.0730	0.000	1	111.7505	0.918	2	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	112.4280	0.000	1	112.4280	0.000	1	111.7505	0.918	2	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|C<4>,3|C<3>,5|H<1>}	110.8675	1.085	2	110.2460	0.911	4	110.8646	1.169	8	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,3|C<4>,3|H<1>}	109.6245	0.104	2	110.2460	0.911	4	110.8646	1.169	8	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,4|H<1>}	110.8630	0.000	1	110.8630	0.000	1	110.8646	1.169	8	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{3|C<3>,6|H<1>}	111.5910	0.000	1	111.5910	0.000	1	110.8646	1.169	8	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]HH)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.7395	1.363	2	111.7395	1.857	2	110.8646	1.169	8	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:3:4:1:	4:3:3:	4:4:4:	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]-4:S[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]2H)(S[6]O[6]OO){2|C<4>,3|C<3>,5|H<1>}	112.0440	0.000	1	112.0440	0.000	1	112.0440	0.000	1	111.1329	1.127	11	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:3:4:	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[6,6a]-3:C[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)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	113.6360	0.226	2	113.6360	0.051	2	113.6360	0.051	2	113.6360	0.051	2	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3)	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>}	N[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]2H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	110.2080	0.000	1	110.2080	0.000	1	110.2080	0.000	1	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)2(CH3){4|C<3>,4|H<1>}	111.2095	3.990	2	111.2095	15.922	2	111.2095	15.922	2	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[5a,6]HH)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	112.5750	0.000	1	112.5750	0.000	1	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	111.7390	0.000	1	111.7390	0.000	1	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	114.4160	0.000	1	114.4160	0.000	1	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.7495	0.302	2	111.7495	0.091	2	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.0440	0.000	1	112.0440	0.000	1	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.1570	0.000	1	111.9677	0.116	8	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.9780	0.377	6	111.9677	0.116	8	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.7170	0.000	1	111.9677	0.116	8	112.1439	0.537	14	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	3:4:3:1:	4:3:3:	4:4:4:	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]-4:C-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)	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH)	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>}	N[6,6](C[6,6]C[6,6a]P[6]H)2(CCHH){8|C<3>}	115.9040	4.452	2	115.9040	19.820	2	115.9040	19.820	2	112.3395	4.209	19	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6,6]	4:3:3:1:	4:3:3:	4:4:4:	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]-4:C[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)	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[5,6]H)(C[6]C[5,6]HH)(C[6]C[6]HH){2|H<1>,3|C<4>,4|C<3>}	112.4180	0.092	2	112.4180	0.008	2	112.4180	0.008	2	112.4180	0.008	2	111.2441	3.730	89	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:3:3:	4:3:3:	4:3:1:	C[6,6a]-3:C[6,6a]-3:C[6,6a]-3:N[6]-3:	C[6,6]-4:C[6,6a]-3:C[6a]-3:	C[6,6]-4:N[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H)	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H)	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])3(N[6]N[6]H){1|O<2>,3|H<1>,8|C<3>}	C[6,6a](C[6,6]C[6,6a]2N[6])(C[6,6a]C[6a]C[6])(C[6a]C[6a]H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	N[6](C[6,6]C[6,6a]3)(N[6]C[5a]C[6])(H){1|N<2>,1|O<1>,1|S<2>,6|C<3>}	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3850	0.000	1	109.3270	0.022	3	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:3:4:4:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6]-4:C[6]-4:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6]C[6,6a]H)(C[6]C[6]HH)2{1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6a](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2N[6])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,6|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(H){2|C<4>,4|C<3>,5|H<1>}	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.1590	0.000	1	109.3270	0.022	3	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6,6]	C[6,6a]	N[6]	3:4:3:3:	3:4:3:	4:4:4:	C[6,6a]-3:C[6]-4:C[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H)	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(C[6]C[6]Cl)(N[6]C[6]C){2|C<3>,2|C<4>,6|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6,6]C[6]2N[6])(C[6a]C[5,6a]H){1|Cl<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	N[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]HH)(CCHH){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.4370	0.000	1	109.3270	0.022	3	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,5|C<3>}	111.7620	0.199	4	111.7620	0.040	4	111.5927	0.312	7	111.9972	0.913	9	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.8250	0.475	2	111.8250	0.226	2	111.5927	0.312	7	111.9972	0.913	9	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	110.4510	0.000	1	110.4510	0.000	1	111.5927	0.312	7	111.9972	0.913	9	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6,6]-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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	113.4130	0.526	2	113.4130	0.277	2	113.4130	0.277	2	111.9972	0.913	9	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4: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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	110.8270	0.000	1	111.5600	1.530	3	111.5600	1.530	3	112.4957	3.635	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4: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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.9265	1.501	2	111.5600	1.530	3	111.5600	1.530	3	112.4957	3.635	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4: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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.4390	0.000	1	113.4390	0.000	1	113.4390	0.000	1	112.4957	3.635	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:P[6,6]-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)	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(P[6,6]N[6]2O[6])(C[6]C[6,6a]HH){2|P<4>,4|C<3>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	112.4957	3.635	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:3:4:	4:4:4:	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[6,6]-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)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	114.6255	0.651	2	114.6255	0.424	2	114.6255	0.424	2	112.4957	3.635	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5,6]-3:C[6,6]-4: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)	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH)	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>}	N[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.8150	0.000	1	111.8150	0.000	1	111.8150	0.000	1	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]HH)(C[6]C[6]HH){3|H<1>,4|C<3>}	110.1810	0.000	1	110.1810	0.000	1	110.1810	0.000	1	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]F)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|F<1>,4|C<3>}	110.5200	0.000	1	110.5200	0.000	1	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]CH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.9030	0.564	2	111.9030	0.318	2	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.0915	0.128	2	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.8828	0.274	4	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	112.0899	0.520	7	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>}	112.1040	0.145	4	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	110.7490	0.000	1	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	112.2914	0.658	16	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.9183	0.721	6	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|S<2>,4|C<3>}	112.9740	0.198	2	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|Br<1>,1|C<4>,4|C<3>}	112.7715	0.199	2	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|H<1>,4|C<3>}	111.4750	0.000	1	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	112.2240	0.000	1	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){1|C<4>,2|H<1>,4|C<3>}	111.6220	0.276	2	112.0857	0.410	48	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-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[6]N[6,6]HH)(C[6a]C[6a]N)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HH){2|C<4>,4|C<3>}	112.3945	0.169	2	112.3945	0.029	2	112.0609	0.429	53	112.0223	0.478	55	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4: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)	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6]C[6]H)(C[6]C[6,6a]HH){1|Si<4>,1|O<2>,2|C<3>,4|C<4>,4|H<1>}	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	111.7160	0.346	3	111.7160	0.120	3	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.9573	0.753	3	112.9442	0.379	4	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.9050	0.000	1	112.9442	0.379	4	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]O)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(C[6]C[6,6a]HH){2|H<1>,8|C<3>}	113.2010	0.000	1	113.2010	0.000	1	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	115.9730	0.000	1	115.9347	1.896	3	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4: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]C[6a]S[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]S[6]H)(C[6]C[6,6a]HH)(C[6]C[6]HH){2|H<1>,4|C<3>}	115.9155	1.947	2	115.9347	1.896	3	113.4482	3.379	11	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	4:4:4:	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[6,6]-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]C[6a]C[6])(C[6]N[6,6]HH)(C[6a]C[6a]H)	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]HH)(C[6,6]C[6]2H)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	113.8270	0.000	1	113.8270	0.000	1	113.8270	0.000	1	113.4245	2.867	13	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:1:1:	3:4:3:	5:4:4:	C[6,6a]-3:N[6,6]-3:H-1:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	P[6,6]-5:C[6]-4: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)	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2	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>}	N[6,6](P[6,6]O[6]2OO)(C[6]C[6,6a]HH)2{4|C<3>}	113.9045	0.169	2	113.9045	0.029	2	113.9045	0.029	2	113.9045	0.029	2	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:N-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4: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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]HN){2|C<4>,4|C<3>}	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	112.1180	0.000	1	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	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[3x6]-4:C[6,6a]-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)	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN)	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>}	N[6,6](C[3x6]C[6,6a]N[3x6]H)(C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HN){1|C<4>,1|H<1>,6|C<3>}	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	110.5650	0.000	1	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:3:	C[6,6a]-3:N[6,6]-3:C-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6]-4:C[6]-4:C[6]-3:	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)	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]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>}	N[6,6](C[6,6]C[6,6]HH)(C[6]C[6,6a]CH)(C[6]C[6]O){2|H<1>,3|C<3>}	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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[6,6]-4: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])(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])	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]O[6]H)(C[6]C[6,6a]C[6a]H)(C[6]C[6]HH){2|H<1>,6|C<3>}	111.0120	0.511	2	111.0120	0.261	2	111.0120	0.261	2	111.0117	0.353	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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[6,6]-4: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])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]CH){1|C<4>,4|C<3>,4|H<1>}	111.0780	0.023	2	111.0780	0.001	2	111.0116	0.464	5	111.0117	0.353	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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[6,6]-4: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])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	110.4490	0.477	2	110.9673	0.920	3	111.0116	0.464	5	111.0117	0.353	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:3:1:	3:4:3:	4:4:4:	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[6,6]-4: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])	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH)	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>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6]H)(C[6]C[6]HH){1|O<2>,4|C<3>,4|H<1>}	112.0040	0.000	1	110.9673	0.920	3	111.0116	0.464	5	111.0117	0.353	7	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:4:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4: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)	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO)	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>}	N[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6,6]HO){1|C<4>,1|N<3>,1|S<2>,3|C<3>,3|H<1>}	113.0260	0.000	1	113.0260	0.000	1	113.0260	0.000	1	111.6180	3.965	2	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:4:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4: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)	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH)	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>}	N[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6,6a]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	110.2100	0.000	1	110.2100	0.000	1	110.2100	0.000	1	111.6180	3.965	2	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6,6]	3:3:4:1:	3:4:3:	3:4:4:	C[6,6a]-3:N[6,6]-3:C-4:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6,6]-4: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)	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH)	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>}	N[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]HH)(C[6]C[6,6a]CH){1|C<4>,1|H<1>,4|C<3>}	111.2423	0.717	3	111.2423	0.514	3	111.2423	0.514	3	111.2423	0.514	3	112.1380	1.441	101	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:2:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-3:C[6]-4:C-3:	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)	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N)	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>}	N[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CC[6a]N){1|C<4>,4|C<3>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	109.9490	11.396	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6a]-3:C[6]-4:C-3:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(COO){1|H<1>,4|C<3>}	107.5620	0.000	1	107.5620	0.000	1	107.5620	0.000	1	109.9490	11.396	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	112.2750	0.016	2	112.2750	0.000	2	112.2750	0.000	2	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(CH3){1|H<1>,4|C<3>}	113.8060	0.000	1	113.8060	0.000	1	113.2506	0.451	5	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CCHH){5|C<3>}	112.9890	0.000	1	112.9890	0.000	1	113.2506	0.451	5	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	113.6130	0.356	2	113.6130	0.127	2	113.2506	0.451	5	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HH)(CH3){5|C<3>}	112.2320	0.000	1	112.2320	0.000	1	113.2506	0.451	5	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	112.2845	0.227	2	112.2845	0.052	2	112.1538	0.040	4	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	112.0230	0.017	2	112.0230	0.000	2	112.1538	0.040	4	112.6744	0.499	11	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:3:	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[6a]-3:Ge[6]-3:	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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(Ge[6]P[6]Cl){2|C<4>,6|C<3>}	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	119.0920	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6a]C[6a]2)(C[6]O[6]HH){2|H<1>,4|C<3>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:H-1:	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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(H){1|C<4>,1|H<1>,4|C<3>}	109.0090	0.000	1	109.0090	0.000	1	109.0090	0.000	1	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(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>}	N[6](C[6]C[5a,6]CC)(C[6]C[6,6a]HH)(H){3|C<3>}	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(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>}	N[6](C[6]C[5]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	114.5670	0.000	1	114.5670	0.000	1	113.8789	2.802	9	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(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>}	N[6](C[6]C[5a]C[6]H)(C[6]C[6,6a]HH)(H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	114.8898	0.477	5	114.8898	0.227	5	113.8789	2.802	9	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(H){2|C<3>,2|H<1>}	111.0670	0.314	2	111.0670	0.099	2	113.8789	2.802	9	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(H){1|H<1>,4|C<3>}	113.7600	0.000	1	113.7600	0.000	1	113.8789	2.802	9	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6a,6a]-3:C[6,6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:H-1:	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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(H){2|C<3>,2|P<4>}	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	113.3107	4.310	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[5,6]C[5]C[6]O[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|N<2>,1|O<1>,3|H<1>,6|C<3>}	113.9220	0.000	1	113.9220	0.000	1	112.0250	3.099	3	112.0276	1.954	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|C<4>,4|C<3>,4|H<1>}	111.7090	0.000	1	111.0765	0.800	2	112.0250	3.099	3	112.0276	1.954	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>,4|C<4>}	110.4440	0.000	1	111.0765	0.800	2	112.0250	3.099	3	112.0276	1.954	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C[6a]-3:	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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	112.0276	1.954	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:3:	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]-4:C[6a]-3:	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)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2)	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>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]HH)(C[6a]C[6a]2){2|H<1>,6|C<3>}	111.1320	0.000	1	111.1320	0.000	1	111.1320	0.000	1	112.0276	1.954	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]HH)(CH3){1|C<4>,5|C<3>}	112.0480	0.000	1	112.0480	0.000	1	112.0480	0.000	1	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:C-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)	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN)	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>}	N[6](C[5,6]C[5,6]N[5,6]H)(C[6]C[6,6a]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:S-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)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	110.4970	0.000	2	109.3245	1.833	4	109.3245	1.833	4	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[5,6]-4:C[6]-4:S-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)	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6a]HH)(SC[6a]OO){3|H<1>,4|C<3>}	108.1520	0.000	2	109.3245	1.833	4	109.3245	1.833	4	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(CH3){3|H<1>,4|C<3>}	111.3000	0.000	1	111.3000	0.000	1	111.7415	0.390	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	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>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]HH)(CC[6a]HH){1|C<4>,4|C<3>}	112.1830	0.000	1	112.1830	0.000	1	111.7415	0.390	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:P-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(PNNO){2|C<4>,2|H<1>,3|C<3>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:S-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.2770	0.000	1	112.2770	0.000	1	112.2770	0.000	1	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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[5]-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)	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[5]C[5]2H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	113.5795	0.347	4	113.5795	0.120	4	113.5795	0.120	4	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	112.0980	0.000	1	112.0980	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|H<1>,3|C<3>}	110.9270	0.000	1	110.9270	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]CH){1|H<1>,3|C<3>}	113.1900	0.000	1	113.1900	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CC[6a]HH){2|C<3>,2|H<1>}	113.3555	2.705	2	113.3555	7.315	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>}	112.8970	0.000	1	112.8970	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CCHH){2|C<3>,2|H<1>}	109.7050	0.000	1	109.7050	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[5]HH){2|C<3>,2|H<1>}	113.4170	0.000	1	113.4170	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	112.4810	0.000	1	112.4640	0.001	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CC[6a]HH){3|C<3>}	112.4470	0.000	1	112.4640	0.001	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	113.1450	0.537	2	113.1450	0.289	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(CC[6a]HH){5|C<3>}	114.6710	0.000	1	114.6710	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	112.1470	0.000	1	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	111.1210	0.000	1	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	111.6530	0.000	1	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	111.4730	0.000	1	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	112.0278	0.368	5	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	111.9435	0.216	2	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	113.1730	0.178	2	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	113.8440	0.000	1	112.1864	0.576	14	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	111.8880	0.000	1	111.7630	0.031	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	111.6380	0.000	1	111.7630	0.031	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CH3){2|C<3>}	112.1475	0.794	2	112.1475	0.631	2	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]N[6]HH)(CCHH){1|C<4>,2|C<3>}	109.1230	0.000	1	109.1230	0.000	1	112.2621	1.516	32	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]2H)(C[6]C[6]CH){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	113.4220	0.000	1	113.4220	0.000	1	112.5125	1.654	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(C[6]C[6]2H){2|C<4>,4|C<3>,5|H<1>}	111.6030	0.000	1	111.6030	0.000	1	112.5125	1.654	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	109.0610	0.272	2	109.2507	0.145	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6,6]HH)(SC[6a]OO){2|C<3>,2|C<4>}	109.6300	0.000	1	109.2507	0.145	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<4>,1|H<1>,2|C<3>}	109.9003	1.460	3	109.9003	2.133	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	109.7960	0.000	2	109.7960	0.000	2	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CH)(SC[6a]OO){4|C<3>}	111.3850	0.000	1	111.3850	0.000	1	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	110.9020	0.862	5	110.9957	0.647	6	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	111.4640	0.000	1	110.9957	0.647	6	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){2|C<3>,2|H<1>}	110.3465	0.672	2	110.0170	0.552	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	109.3580	0.000	1	110.0170	0.552	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(SNOO){2|C<3>,2|H<1>}	110.2490	0.000	1	110.2490	0.000	1	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){2|H<1>,4|C<3>}	112.0005	2.685	2	112.3590	3.990	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	113.0760	0.000	1	112.3590	3.990	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,1|N<2>,3|C<3>}	111.0030	0.000	1	111.6280	0.365	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6a]N[6]H)(C[6]C[6,6a]HH)(SC[6a]OO){1|H<1>,4|C<3>}	111.9405	0.378	2	111.6280	0.365	3	110.6666	1.703	25	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P[6]-4:C-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)	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(P[6]O[6]NN)(CCHH){2|C<3>}	108.9240	0.000	1	108.9240	0.000	1	109.5090	0.684	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:P[6]-4:C-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)	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]HH)(P[6]O[6]OO)(CC[6a]CH){2|C<3>}	110.0940	0.000	1	110.0940	0.000	1	109.5090	0.684	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCCH){2|C<3>,2|P<4>}	111.0600	0.000	1	111.0600	0.000	1	111.8865	2.812	11	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CCHH){2|C<3>,2|P<4>}	113.1416	1.724	5	113.1416	2.973	5	111.8865	2.812	11	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CC[6a]HH){2|C<3>,2|P<4>}	110.6697	0.842	3	110.6697	0.708	3	111.8865	2.812	11	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:H-1:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	P[6,6]-4:C[6]-4:C-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)	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3)	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>}	N[6](P[6,6]N[6]2O[6])(C[6]C[6,6a]HH)(CH3){2|C<3>,2|P<4>}	110.9870	0.438	2	110.9870	0.192	2	111.8865	2.812	11	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCCH){2|C<3>}	113.6445	0.252	2	113.6445	0.064	2	112.4614	1.287	7	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CCHH){2|C<3>}	112.8955	0.455	2	112.8955	0.207	2	112.4614	1.287	7	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]CH){2|C<3>}	111.1860	0.000	1	111.1860	0.000	1	112.4614	1.287	7	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]HH)(C[6]O[6]HH)(CC[6a]HH){2|C<3>}	111.4820	0.854	2	111.4820	0.730	2	112.4614	1.287	7	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]HH)(CH3){3|C<3>}	111.4760	0.000	2	111.4760	0.000	2	111.4760	0.000	2	111.6533	2.369	95	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:1:1:	3:4:2:	4:4:4:	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]-4:C-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])	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3)	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>}	N[6](C[6]C[6,6a]HH)(C[6]C[6]CC)(CH3){1|C<3>,1|N<2>,2|H<1>}	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	108.5130	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(CH3){1|H<1>,4|C<3>}	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	112.4167	3.496	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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[6,6a]-3: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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]HO)(CH3){5|C<3>}	113.4945	0.146	2	113.4945	0.021	2	113.4945	0.021	2	112.4167	3.496	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	112.3035	0.911	2	112.3035	0.831	2	112.3035	0.831	2	112.3035	0.831	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-2:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.4405	0.200	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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: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)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(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>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	111.4405	0.200	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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[6]-4:N-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)	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC)	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>}	N[6](C[6]C[6,6a]HO)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	112.0840	0.000	1	112.1985	0.026	2	112.1985	0.026	2	111.5980	0.762	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	112.3130	0.000	1	112.1985	0.026	2	112.1985	0.026	2	111.5980	0.762	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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:S[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)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(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>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CCHH){2|C<3>}	111.7455	0.139	2	111.7455	0.019	2	111.1977	0.910	3	111.5980	0.762	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:2:1:	3:3:4:	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:S[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)	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(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>}	N[6](C[6]C[6,6a]HO)(S[6]O[6]OO)(CC[3]HH){2|C<3>}	110.1020	0.000	1	110.1020	0.000	1	111.1977	0.910	3	111.5980	0.762	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:1:	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]-3:H-1:	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)	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H)	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>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]O)(H){2|C<3>}	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	108.9680	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.7530	0.000	1	113.7530	0.000	1	113.5560	0.078	2	113.6753	0.082	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.3590	0.000	1	113.3590	0.000	1	113.5560	0.078	2	113.6753	0.082	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]HN)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	113.9140	0.000	1	113.9140	0.000	1	113.9140	0.000	1	113.6753	0.082	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	111.4670	0.000	1	110.1863	5.956	6	110.3710	5.202	7	110.7757	3.141	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(H){6|C<3>}	109.9302	2.637	5	110.1863	5.956	6	110.3710	5.202	7	110.7757	3.141	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(H){4|C<3>}	111.4790	0.000	1	111.4790	0.000	1	110.3710	5.202	7	110.7757	3.141	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:H-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)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H)	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>}	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]CH)(H){2|C<3>,2|O<2>,3|H<1>}	110.6990	0.000	1	110.6990	0.000	1	110.6990	0.000	1	110.7757	3.141	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4: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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.5030	0.160	4	111.5030	0.026	4	111.5030	0.026	4	110.7757	3.141	12	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	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:C[6]-4:O-2:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(OH){2|C<3>,2|H<1>}	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	110.9150	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	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[6]-4:C-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CCO){1|H<1>,3|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	112.0243	8.512	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	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>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	115.2330	0.000	1	115.2330	0.000	1	113.2710	7.699	2	112.0243	8.512	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC)	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>}	N[6](C[6]C[6,6a]HN)(C[6]C[6]HH)(NCC){2|C<3>,2|H<1>}	111.3090	0.000	1	111.3090	0.000	1	113.2710	7.699	2	112.0243	8.512	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CCHH){6|C<3>}	110.7600	0.000	1	110.7600	0.000	1	110.6523	0.115	3	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(CC[6a]HH){6|C<3>}	110.2720	0.000	1	110.2720	0.000	1	110.6523	0.115	3	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]O[6]CH)(CCHH){4|C<3>}	110.9250	0.000	1	110.9250	0.000	1	110.6523	0.115	3	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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:P[6]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	110.3660	0.000	1	108.8306	0.797	5	108.8306	0.797	5	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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:P[6]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6]O[6]CO)(CC[6a]CH){4|C<3>}	108.4468	0.283	4	108.8306	0.797	5	108.8306	0.797	5	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]HN)(C[6]O[6]CH)(SC[6a]OO){2|C<3>}	109.8050	0.000	1	109.8050	0.000	1	109.8050	0.000	1	109.8827	2.213	10	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:3:4:	4:5:1:	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:P[6,6]-5:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(P[6,6]N[6]O[6]2H)(H){1|C<4>,1|H<1>,5|C<3>}	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	111.2030	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	3:4:1:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6,6a]-3:C[6]-4:H-1:	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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6a]H)(H){1|H<1>,6|C<3>}	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	109.0870	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	3:4:3:	C[6,6a]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[5a,6]-3:C[6]-4:C[6a]-3:	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)	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)	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>}	N[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2){1|N<2>,2|H<1>,8|C<3>}	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	110.8770	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:S-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	110.7320	0.000	1	110.7320	0.000	1	110.7375	0.000	2	110.7375	0.000	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:3:3:	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]-3:S-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(SCO){2|H<1>,4|C<3>}	110.7430	0.000	1	110.7430	0.000	1	110.7375	0.000	2	110.7375	0.000	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,4|H<1>,5|C<3>}	111.7950	2.278	2	111.7950	5.191	2	111.7950	5.191	2	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	111.1330	0.000	1	111.1330	0.000	1	111.1330	0.000	1	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	110.8247	0.858	6	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){2|F<1>,2|H<1>,6|C<3>}	109.8075	0.460	2	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	110.4360	0.000	1	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	111.2450	0.000	1	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	110.8163	0.326	3	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|F<1>,3|H<1>,6|C<3>}	109.6950	0.030	3	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	111.6480	2.530	2	110.6152	1.017	18	110.6152	1.017	18	110.7522	1.257	21	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[5a]H)(S[6]O[6]OO)(H){4|C<3>}	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[5a]C[6]H)(H){1|N<2>,1|S<2>,2|H<1>,4|C<3>}	114.6100	0.000	1	114.6100	0.000	1	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	111.3023	2.699	4	111.0817	4.569	6	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(H){2|H<1>,4|C<3>}	110.6405	0.643	2	111.0817	4.569	6	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	109.4240	0.000	1	109.4810	0.006	2	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(H){2|H<1>,4|C<3>}	109.5380	0.000	1	109.4810	0.006	2	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(H){6|C<3>}	114.6010	0.000	1	114.6010	0.000	1	111.4663	5.703	10	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	110.9860	0.000	1	110.9860	0.000	1	111.2480	0.069	3	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]N[6]OO)(H){1|H<1>,4|C<3>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.069	3	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:1:	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:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]H)(S[6]O[6]OO)(H){4|C<3>}	111.5100	0.000	1	111.5100	0.000	1	111.2480	0.069	3	111.4554	3.989	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	110.4860	0.000	1	110.4860	0.000	1	110.5290	0.004	2	110.3162	0.070	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	110.5720	0.000	1	110.5720	0.000	1	110.5290	0.004	2	110.3162	0.070	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	110.3162	0.070	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	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>}	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	109.9900	0.000	1	109.9900	0.000	1	109.9900	0.000	1	110.3162	0.070	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	112.1420	0.551	3	112.6030	0.554	5	112.4239	1.155	8	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]CH)(CC[6a]HH){2|H<1>,4|C<3>}	113.2945	0.122	2	112.6030	0.554	5	112.4239	1.155	8	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(CCHH){2|H<1>,4|C<3>}	111.1850	0.365	2	111.1850	0.133	2	112.4239	1.155	8	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]S[6]H)(CC[6a]HH){6|C<3>}	114.0060	0.000	1	114.0060	0.000	1	112.4239	1.155	8	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]HH)(SC[6a]OO){1|H<1>,5|C<3>}	111.5955	0.309	2	111.5955	0.095	2	111.5955	0.095	2	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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[5]-4: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)	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]N[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,2|H<1>,7|C<3>}	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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[5]-4: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)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	112.6260	0.000	1	112.5820	0.004	2	112.5820	0.004	2	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:1:	3:4:3:	4:4:4:	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[5]-4: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)	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5a]H)(C[5]C[5,6a]2H)(C[6]C[6]HH){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	112.5380	0.000	1	112.5820	0.004	2	112.5820	0.004	2	112.1988	0.955	13	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:H-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)	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H)	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>}	N[6](C[6]C[6a]O[6]H)(C[6]C[6,6a]CC)(H){4|C<3>}	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	112.1660	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:4:1:	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:C[6]-4:H-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)	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(C[6]C[6a]O[6]H)(H){6|C<3>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.6590	0.044	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:3:	3:4:3:	4:4:1:	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:S[6]-4:H-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)	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	108.8080	0.000	1	108.8080	0.000	1	108.8080	0.000	1	108.6590	0.044	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:3:4:	3:4:3:	4:4:1:	C[6,6a]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:C[6]-4:C[6a]-3:	C[6]-4:S[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH)	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)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(N[6]S[6]H)(CCHH){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>}	N[6](C[6]C[6,6a]C[6a]C)(S[6]O[6]OO)(H){4|C<3>}	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	3:4:3:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	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)	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO)	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>}	N[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]CH)(COO){2|C<3>,2|C<4>,2|H<1>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	111.3513	0.892	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	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[6,6a]-3:C[6]-4:C-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)	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]CH)(CH3){5|C<3>}	112.2210	0.000	1	112.2210	0.000	1	112.2210	0.000	1	111.3513	0.892	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	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[6,6a]-3:C[6]-4:S-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)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO)	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>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]CH)(SC[6a]OO){1|H<1>,4|C<3>}	111.4860	0.000	1	111.4860	0.000	1	111.4860	0.000	1	111.3513	0.892	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:2:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:N[6]-2:C-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)	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3)	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>}	N[6](C[6]C[6,6a]CH)(N[6]C[6])(CH3){1|H<1>,2|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	108.4700	0.000	1	108.4700	0.000	1	109.3500	1.549	2	109.7253	1.197	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,6|C<3>}	110.2300	0.000	1	110.2300	0.000	1	109.3500	1.549	2	109.7253	1.197	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:3:	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]-3:C[6a]-3:	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)	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2)	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>}	N[6](C[6]C[6,6a]HP)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	109.7253	1.197	3	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]S[6]C)(SC[6a]OO){2|C<3>}	111.4990	0.000	1	111.4990	0.000	1	110.9615	0.578	2	112.1585	2.122	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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]-3:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]H)(SC[6a]OO){3|C<3>}	110.4240	0.000	1	110.4240	0.000	1	110.9615	0.578	2	112.1585	2.122	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.1850	0.000	1	113.1850	0.000	1	113.3555	0.058	2	112.1585	2.122	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:3:4:	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[6a]-3: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)	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6a]C[6a]2)(C[6]C[6]HH){4|C<3>,4|H<1>}	113.5260	0.000	1	113.5260	0.000	1	113.3555	0.058	2	112.1585	2.122	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H)	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>}	N[6](C[6]C[6a]C[6]H)(C[6]C[6,6a]CH)(H){1|H<1>,1|O<2>,4|C<3>}	113.9500	0.000	1	113.9500	0.000	1	110.6260	10.107	3	111.1802	5.874	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	108.9640	1.908	2	108.9640	3.640	2	110.6260	10.107	3	111.1802	5.874	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	111.3110	0.000	1	111.3110	0.000	1	112.0115	0.981	2	111.1802	5.874	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:1:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S[6]-4:H-1:	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)	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H)	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>}	N[6](C[6]C[6,6a]CH)(S[6]O[6]OO)(H){2|C<3>}	112.7120	0.000	1	112.7120	0.000	1	112.0115	0.981	2	111.1802	5.874	5	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:2:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:S-4:N[6]-2:	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)	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6])	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>}	N[6](C[6]C[6,6a]CH)(SC[6a]OO)(N[6]C[6]){3|C<3>}	106.3900	0.000	1	106.3900	0.000	1	106.3900	0.000	1	106.3900	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:N-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	112.7395	0.039	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:3:	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]-4:S-3:	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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]O){2|C<3>,2|H<1>}	112.5990	0.000	1	112.5990	0.000	1	112.5990	0.000	1	112.7395	0.039	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:C[6]-4:	C[6,6]-4:C[6]-4:C-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)	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3)	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>}	N[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6,6a]CH)(CH3){2|C<4>,4|C<3>}	109.3520	0.000	1	109.3520	0.000	1	109.3520	0.000	1	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]HH){2|C<3>,2|H<1>}	108.7610	0.000	1	108.7610	0.000	1	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[5a]HH){2|C<3>,2|H<1>}	113.4560	0.000	1	113.4560	0.000	1	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CC[6a]CH){2|C<3>,2|H<1>}	113.0980	0.219	2	113.0980	0.048	2	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	111.1560	2.793	3	111.1560	7.799	3	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	113.0665	0.518	2	113.0665	0.269	2	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	110.3050	0.000	1	110.3050	0.000	1	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	109.9700	0.000	1	109.9700	0.000	1	111.6626	4.109	11	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|O<1>,2|C<3>}	110.6880	0.000	1	110.6880	0.000	1	111.2545	0.642	2	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:3:4:	4:4:4:	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]-4:S-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)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO)	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>}	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(SC[6a]OO){1|C<2>,2|C<3>}	111.8210	0.000	1	111.8210	0.000	1	111.2545	0.642	2	111.4393	3.593	14	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|F<1>,4|H<1>,5|C<3>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:3:	3:3:4:	4:4:1:	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[6]-4:H-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)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H)	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>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(H){2|C<3>,2|H<1>}	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	110.8450	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:3:1:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3)	C[6,6a](C[6,6a]C[6a]N[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(CC[6a]CH)(CF3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[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>}	N[6](C[6]C[6,6a]CC)(C[6]N[6]O)(H){1|C<4>,2|C<3>}	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	110.0490	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:3:2:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6a]-3:N[6]-2:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]N[6])(CCHH)2{1|H<1>,5|C<3>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]CC)(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	108.0210	0.585	2	108.0210	0.343	2	108.0210	0.343	2	108.0210	0.343	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:3:4:4:	3:3:4:	4:4:4:	C[6,6a]-3:N[6]-3:C-4:C-4:	C[6,6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:C-4:	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3)	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC)	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]C)(CHHS)(CF3){1|C<4>,2|C<3>,3|H<1>}	C[6,6a](C[6,6a]C[6a]C[6])(C[6a]C[6a]H)(C[6]N[6]CC){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	N[6](C[6]C[6,6a]CC)(C[6]C[6]HH)(CH3){2|C<3>,2|H<1>}	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|O<2>,4|H<1>,6|C<3>}	113.0950	0.000	1	113.0950	0.000	1	113.0950	0.000	1	112.3450	1.125	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	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[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)	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,5|C<3>,5|H<1>}	111.5950	0.000	1	111.5950	0.000	1	111.5950	0.000	1	112.3450	1.125	2	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:1:	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]-4:C-1:	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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(C){2|C<3>,2|C<4>,3|H<1>}	114.5615	0.254	2	114.5615	0.064	2	114.5615	0.064	2	113.3212	4.259	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:1:	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]-4:H-1:	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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6a]C[6]H)(H){1|N<3>,3|H<1>,5|C<3>}	112.0810	2.561	2	112.0810	6.559	2	112.0810	6.559	2	113.3212	4.259	4	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	113.4465	0.295	2	113.4465	0.087	2	113.2250	0.109	4	113.2171	0.056	8	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,3|C<3>,3|H<1>}	113.0035	0.207	2	113.0035	0.043	2	113.2250	0.109	4	113.2171	0.056	8	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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:S[6]-4:C-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)	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3)	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>}	N[6](C[6]C[6,6a]C[5]H)(S[6]O[6]OO)(CH3){1|F<1>,4|C<3>}	113.3460	0.000	1	113.3460	0.000	1	113.3460	0.000	1	113.2171	0.056	8	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	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>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){1|N<3>,3|C<3>,3|H<1>}	113.2215	0.131	2	113.2215	0.017	2	113.1637	0.019	3	113.2171	0.056	8	111.5578	3.314	287	111.5210	3.490	494
466	643	856	6:SP3_SP2_SP3	C[6]	C[6,6a]	N[6]	3:4:3:1:	3:4:3:	4:4:4:	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]-4:C-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)	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3)	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){2|C<3>,4|C<4>,4|H<1>}	N[6](C[6]C[6,6a]C[6]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,3|H<1>}	113.0480	0.000	1	113.0480	0.000	1	113.1637	0.019	3	113.2171	0.056	8	111.5578	3.314	287	111.5210	3.490	494